SCHEMBL8765714

SCHEMBL8765714

O=S(=O)([O-])c1cc(Nc2cc(Oc3cccc4ccccc34)nc(Oc3cccc4ccccc34)n2)ccc1C=Cc1ccc(Nc2cc(Oc3cccc4ccccc34)nc(Oc3cccc4ccccc34)n2)cc1S(=O)(=O)[O-].[Na+].[Na+]

nearest known ligand 0.44

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
BRAF known ✓ P15056 1/20 0.37
P2RY12 known ✓ Q9H244 1/20 0.31
RAD51 Q06609 9/20 0.44
BCL2L1 Q07817 1/20 0.35
MCL1 Q07820 1/20 0.35
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
LMNA P02545 1/20 0.33
CNR1 P21554 1/20 0.33
HTT P42858 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
PGR P06401 1/20 0.32
MAPK8 P45983 1/20 0.32
MAPK10 P53779 1/20 0.32
ESRRA P11474 1/20 0.31
KDM4E B2RXH2 1/20 0.31
USP2 O75604 1/20 0.31
LTA P01374 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL8765206 1.00 RAD51 (0.44) RAD51BRAFBCL2L1MCL1ALDH1A1
SCHEMBL9454053 0.90 SENP2 (0.38) RAD51BRAFBCL2L1MCL1ALDH1A1
SCHEMBL8765748 0.89 SENP2 (0.37) RAD51BRAFBCL2L1MCL1ALDH1A1
SCHEMBL8942848 0.86 RAD51 (0.47) RAD51BRAFBCL2L1MCL1ALDH1A1
SCHEMBL8003076 0.83 RAD51 (0.47) RAD51ALDH1A1MAPTHPGDLMNA
SCHEMBL8985671 0.83 RAD51 (0.51) RAD51ALDH1A1MAPTHPGDGPR55
SCHEMBL8637919 0.83 RAD51 (0.51) RAD51ALDH1A1MAPTHPGDGPR55
SCHEMBL8765183 0.79 RAD51 (0.35) RAD51ALDH1A1MAPTHPGDKDM4E
SCHEMBL10336732 0.78 BRAF (0.43) BRAFBCL2L1MCL1MAPTLMNA
SCHEMBL10336735 0.77 BRAF (0.46) BRAFBCL2L1MCL1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0457307-B1 Silver halide photographic material and processing method thereof FUJI PHOTO FILM CO LTD (JP) 1997-08-06 EP disclosed
EP-0457307-A1 Silver halide photographic material and processing method thereof FUJI PHOTO FILM CO., LTD. (JP) 1991-11-21 EP disclosed