SCHEMBL8985671

SCHEMBL8985671

O=S(=O)([O-])c1cc(Nc2cc(Oc3ccccc3)nc(Oc3ccccc3)n2)ccc1/C=C/c1ccc(Nc2cc(Oc3ccccc3)nc(Oc3ccccc3)n2)cc1S(=O)(=O)[O-].[Na+].[Na+]

nearest known ligand 0.51

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 0.40
CA2 known ✓ P00918 1/20 0.40
P2RY12 known ✓ Q9H244 1/20 0.39
P2RY4 known ✓ P51582 1/20 0.37
P2RY2 known ✓ P41231 1/20 0.36
P2RY6 known ✓ Q15077 1/20 0.36
RAD51 Q06609 10/20 0.51
CA9 Q16790 1/20 0.40
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
PGR P06401 1/20 0.35
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
NUDT1 P36639 1/20 0.34
USP2 O75604 1/20 0.33
LTA P01374 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL8637919 1.00 RAD51 (0.51) RAD51CA1CA2CA9P2RY12
SCHEMBL8003076 0.92 RAD51 (0.47) RAD51ALDH1A1P2RY2PGRKDM4E
SCHEMBL9115036 0.88 ENPP2 (0.40) RAD51CA1CA2CA9ALDH1A1
SCHEMBL9115068 0.88 ENPP2 (0.40) RAD51CA1CA2CA9ALDH1A1
SCHEMBL8985696 0.88 ENPP2 (0.39) RAD51CA1CA2CA9ALDH1A1
SCHEMBL8637932 0.88 CA1 (0.40) RAD51CA1CA2CA9ALDH1A1
SCHEMBL8637897 0.88 ENPP2 (0.39) RAD51CA1CA2CA9ALDH1A1
SCHEMBL8003389 0.85 RAD51 (0.55) RAD51CA1CA2CA9P2RY12
SCHEMBL8003381 0.85 RAD51 (0.55) RAD51CA1CA2CA9P2RY12
SCHEMBL8765714 0.83 RAD51 (0.44) RAD51P2RY12ALDH1A1PGRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0421452-B1 Silver halide photographic material FUJI PHOTO FILM CO LTD (JP) 1996-06-19 EP disclosed
US-5288604-A Containing sensitizing cyanine dye; high infrared sensitivity FUJI PHOTO FILM CO., LTD. (JP) 1994-02-22 US disclosed
US-5187053-A Storage stability FUJI PHOTO FILM CO., LTD. (JP) 1993-02-16 US disclosed
US-5176993-A Layer containing a nitrogen-heterocyclic compound, high silver chloride and a red-sensitive sensitizer dye; high speed development; high photosensitivity; storage stability FUJI PHOTO FILM CO., LTD. (JP) 1993-01-05 US disclosed
US-5137803-A Sensitizing desalted silver chlorobromide grains in the presence of a nucleic acid or degradation product FUJI PHOTO FILM CO., LTD. (JP) 1992-08-11 US disclosed
EP-0313021-B1 SILVER HALIDE PHOTOGRAPHIC MATERIAL FUJI PHOTO FILM CO., LTD. (JP) 1991-04-10 EP disclosed
EP-0421452-A1 Silver halide photographic material Fuji Photo Film Co., Ltd. (JP) 1991-04-10 EP disclosed
US-4945038-A Silver halide color photographic material FUJI PHOTO FILM CO., LTD. (JP) 1990-07-31 US disclosed
EP-0368356-A1 Silver halide color photographic material FUJI PHOTO FILM CO., LTD. (JP) 1990-05-16 EP disclosed
EP-0367227-A2 Silver halide color photographic material FUJI PHOTO FILM CO., LTD. (JP) 1990-05-09 EP disclosed