SCHEMBL8943258

SCHEMBL8943258

O=S(=O)([O-])c1cc(Nc2cc(Oc3ccc4ccccc4c3)ncn2)ccc1C=Cc1ccc(Nc2cc(Oc3ccc4ccccc4c3)ncn2)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 0.35
▸ RAD51 Q06609 5/20 0.44
▸ KDR P35968 4/20 0.44
▸ ABL1 P00519 1/20 0.41
▸ BCR P11274 1/20 0.41
▸ TNNI3K Q59H18 3/20 0.39
▸ EGFR P00533 5/20 0.36
▸ ERBB3 P21860 2/20 0.36
▸ MAP2K7 O14733 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ERBB2 P04626 2/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LTA P01374 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34

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
SCHEMBL8003076 0.86 RAD51 (0.47) RAD51MEN1KMT2AKDM4EUSP2
SCHEMBL8012332 0.78 RAD51 (0.50) RAD51MEN1NPC1RAB9AKMT2A
SCHEMBL8012347 0.78 RAD51 (0.50) RAD51MEN1NPC1RAB9AKMT2A
SCHEMBL8637919 0.78 RAD51 (0.51) RAD51MEN1KMT2AKDM4EUSP2
SCHEMBL8985671 0.78 RAD51 (0.51) RAD51MEN1KMT2AKDM4EUSP2
SCHEMBL8011911 0.75 RAD51 (0.50) RAD51MEN1RAB9AKMT2AUSP2
SCHEMBL8011898 0.75 RAD51 (0.50) RAD51MEN1RAB9AKMT2AUSP2
SCHEMBL13295076 0.75 ENPP2 (0.38) RAD51KDRALDH1A1
SCHEMBL8574794 0.75 ENPP2 (0.38) RAD51KDRALDH1A1
SCHEMBL8637860 0.75 PPARG (0.39) MEN1KMT2AUSP2CYP3A4MAPT

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
US-5529896-A IMPROVED PHOTOSENSITIVITY, STORAGE STABILITY FUJI PHOTO FILM CO., LTD. (JP) 1996-06-25 — — US disclosed
EP-0631175-A1 Silver halide photographic material FUJI PHOTO FILM CO., LTD. (JP) 1994-12-28 — — EP disclosed
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