SCHEMBL8012332

SCHEMBL8012332

O=S(=O)([O-])c1cc(Nc2cc(Nc3ccc4ccccc4c3)nc(Nc3ccc4ccccc4c3)n2)ccc1/C=C/c1ccc(Nc2cc(Nc3ccc4ccccc4c3)nc(Nc3ccc4ccccc4c3)n2)cc1S(=O)(=O)[O-].[Na+].[Na+]

nearest known ligand 0.50

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
▸ P2RY2 known ✓ P41231 2/20 0.40
▸ DHFR known ✓ P00374 1/20 0.39
▸ CA1 known ✓ P00915 1/20 0.36
▸ CA2 known ✓ P00918 1/20 0.36
▸ RAD51 Q06609 9/20 0.50
▸ ENTPD1 P49961 2/20 0.40
▸ MAPT P10636 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ IGF1R P08069 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ TNF P01375 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ NOD1 Q9Y239 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CYP3A4 P08684 2/20 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
SCHEMBL8012347 1.00 RAD51 (0.50) RAD51P2RY2ENTPD1MAPTALDH1A1
SCHEMBL8011898 0.97 RAD51 (0.50) RAD51P2RY2ENTPD1MAPTALDH1A1
SCHEMBL8011911 0.97 RAD51 (0.50) RAD51P2RY2ENTPD1MAPTALDH1A1
SCHEMBL8011882 0.91 RAD51 (0.55) RAD51P2RY2MAPTALDH1A1RAB9A
SCHEMBL8011892 0.91 RAD51 (0.55) RAD51P2RY2MAPTALDH1A1RAB9A
SCHEMBL8011912 0.91 RAD51 (0.55) RAD51P2RY2MAPTALDH1A1RAB9A
SCHEMBL8011925 0.91 RAD51 (0.55) RAD51P2RY2MAPTALDH1A1RAB9A
SCHEMBL8432740 0.87 ENPP2 (0.43) MAPTALDH1A1RAB9ADHFRMEN1
SCHEMBL8432719 0.87 ENPP2 (0.43) MAPTALDH1A1RAB9ADHFRMEN1
SCHEMBL9551808 0.86 ENPP2 (0.43) MAPTALDH1A1RAB9ADHFRMEN1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-5618660-A IRRIDIUM METAL DOPANT SILVERCHLROBROMIDE GRAINS; SILVERHALIDE EMULSION LAYER IS SPECTRALLY SENSITIZED WITH A CYANINE DYE AND CHEMICALLY SENSITIZED WITH GOLD AND SELENIUM COMPOUNDS; HIGH SENSITIVITY AND HIGH CONTRAST IMAGE FUJI PHOTO FILM CO., LTD. (JP) 1997-04-08 — — US 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-0563860-B1 Photographic silver halide photosensitive material FUJI PHOTO FILM CO LTD (JP) 1995-07-19 — — EP disclosed
EP-0647878-A2 Silver halide photographic material FUJI PHOTO FILM CO., LTD. (JP) 1995-04-12 — — EP disclosed
EP-0369410-B1 Silver halide photographic emulsion FUJI PHOTO FILM CO LTD (JP) 1995-02-01 — — EP disclosed
EP-0563860-A2 Photographic silver halide photosensitive material FUJI PHOTO FILM CO., LTD. (JP) 1993-10-06 — — EP disclosed
US-5223389-A Containing at least one cyanine or merocyanine dye; storage stability; high speed processing FUJI PHOTO FILM CO., LTD. (JP) 1993-06-29 — — US disclosed
EP-0532042-A1 Silver halide photographic material FUJI PHOTO FILM CO., LTD. (JP) 1993-03-17 — — EP disclosed
US-5162195-A Scanning exposure to three wavelengths, indole cyanine dye sensitizer FUJI PHOTO FILM CO., LTD. (JP) 1992-11-10 — — US disclosed
US-5149619-A Infrared sensitized FUJI PHOTO FILM CO., LTD. (JP) 1992-09-22 — — US disclosed
EP-0474047-A1 Silver halide emulsion FUJI PHOTO FILM CO., LTD. (JP) 1992-03-11 — — EP disclosed
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