SCHEMBL8003389

SCHEMBL8003389

O=S(=O)([O-])c1cc(Nc2nc(Oc3ccccc3)cc(Oc3ccccc3)n2)ccc1C=Cc1ccc(Nc2nc(Oc3ccccc3)cc(Oc3ccccc3)n2)cc1S(=O)(=O)[O-].[Na+].[Na+]

nearest known ligand 0.55

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 known ✓ P00915 1/20 0.43
CA2 known ✓ P00918 1/20 0.43
P2RY12 known ✓ Q9H244 1/20 0.41
P2RY4 known ✓ P51582 1/20 0.39
P2RY2 known ✓ P41231 1/20 0.38
P2RY6 known ✓ Q15077 1/20 0.38
RAD51 Q06609 10/20 0.55
CA9 Q16790 1/20 0.43
PGR P06401 1/20 0.38
PIN1 Q13526 3/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LTA P01374 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
P2RX3 P56373 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8003381 1.00 RAD51 (0.55) RAD51CA1CA2CA9P2RY12
SCHEMBL8433654 0.87 ENPP2 (0.43) RAD51CA1CA2CA9PGR
SCHEMBL8433673 0.87 ENPP2 (0.43) RAD51CA1CA2CA9PGR
SCHEMBL9551824 0.86 CA1 (0.43) RAD51CA1CA2CA9PGR
SCHEMBL8003406 0.86 ENPP2 (0.42) RAD51CA1CA2CA9PIN1
SCHEMBL9551821 0.86 ENPP2 (0.42) RAD51CA1CA2CA9PIN1
SCHEMBL8637919 0.85 RAD51 (0.51) RAD51CA1CA2CA9P2RY12
SCHEMBL8985671 0.85 RAD51 (0.51) RAD51CA1CA2CA9P2RY12
SCHEMBL30532269 0.84 RAD51 (0.60) RAD51CA1CA2CA9P2RY12
SCHEMBL893765 0.84 RAD51 (0.60) RAD51CA1CA2CA9P2RY12

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4002480-A CONTAINING A DINUCLEAR MEROCYANINE SENSITIZING DYE AND AN ANTIFOGGING AGENT FUJI PHOTO FILM CO., LTD. (JA) 1977-01-11 US claimed
EP-0647878-B1 Silver halide photographic material FUJI PHOTO FILM CO LTD (JP) 2000-01-12 EP disclosed
EP-0532042-B1 Silver halide photographic material FUJI PHOTO FILM CO LTD (JP) 1999-12-22 EP disclosed
US-5804362-A GROUP VIII METAL, THIOSULFONATE FUJI PHOTO FILM CO., LTD. (JP) 1998-09-08 US disclosed
EP-0445627-B1 Silver halide photographic light-sensitive materials FUJI PHOTO FILM CO LTD (JP) 1996-09-11 EP disclosed
EP-0474047-B1 Silver halide emulsion FUJI PHOTO FILM CO LTD (JP) 1996-06-12 EP disclosed
EP-0383265-B1 Method for forming color image FUJI PHOTO FILM CO LTD (JP) 1996-06-12 EP disclosed
US-5508161-A SPECTRALLY SENSITIZED WITH A COMBINATION OF AT LEAST TWO J-BAND TYPE SENSITIZING DYES FUJI PHOTO FILM CO., LTD. (JP) 1996-04-16 US disclosed
US-5489505-A ON A SUPPORT ATLEAST ONE SILVER HALIDE EMULSION AND ATLEAST ONE METHINE DYE; STORAGE STABILITY AND HIGH SENSITIVITY FUJI PHOTO FILM CO., LTD. (JP) 1996-02-06 US disclosed
EP-0230100-B1 Light sensitive materials for lithographic printing plates MITSUBISHI PAPER MILLS LTD (JP) 1995-12-20 EP disclosed
EP-0383265-A2 Method for forming color image FUJI PHOTO FILM CO., LTD. (JP) 1990-08-22 EP disclosed
EP-0369410-A2 Silver halide photographic emulsion FUJI PHOTO FILM CO., LTD. (JP) 1990-05-23 EP disclosed
US-4770961-A SILVER HALIDE EMULSIONS CONTAINING CYANINE DYES AS PHOTOSENSITIZERS; LASER OFFSET PRINTING MITSUBISHI PAPER MILLS, LTD. (JP) 1988-09-13 US disclosed
EP-0230100-A2 Light sensitive materials for lithographic printing plates MITSUBISHI PAPER MILLS, LTD. (JP) 1987-07-29 EP disclosed
US-4677053-A INFRARED SENSITIZING DYE; IMPROVED SHELF LIFE YUJI MIHARA (JP) 1987-06-30 US disclosed
US-4596767-A Supersensitizing silver halide photographic material by incorporating therein an infrared sensitizing dye and an imino containing heterocyclic ring compound FUJI PHOTO FILM CO., LTD. (JP) 1986-06-24 US disclosed
US-4536473-A Silver halide photographic light-sensitive material FUJI PHOTO FILM CO., LTD. (JP) 1985-08-20 US disclosed
EP-0138543-A2 Silver halide photographic light sensitive material FUJI PHOTO FILM CO., LTD. (JP) 1985-04-24 EP disclosed
US-4493889-A RED SENSITIVITY FUJI PHOTO FILM CO., LTD. (JP) 1985-01-15 US disclosed
US-4002480-A CONTAINING A DINUCLEAR MEROCYANINE SENSITIZING DYE AND AN ANTIFOGGING AGENT FUJI PHOTO FILM CO., LTD. (JA) 1977-01-11 US disclosed