SCHEMBL9460486

SCHEMBL9460486

Cc1cc(Cc2ccccc2C)c(O)c(-n2nc3ccccc3[n+]2[O-])c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
POLB P06746 1/20 0.36
AMY1A P0DUB6 1/20 0.33
LMNA P02545 1/20 0.33
CNR2 P34972 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
HSPA5 P11021 1/20 0.31
BCHE P06276 1/20 0.31
CYP2C9 P11712 2/20 0.30
CYP2C19 P33261 2/20 0.30
HIF1A Q16665 2/20 0.30
CYP2D6 P10635 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL9460732 0.88 NPC1 (0.36) NPC1RAB9APOLBAMY1ACNR2
SCHEMBL9178544 0.78 SMN1; SMN2 (0.41) NPC1RAB9APOLBLMNACA2
SCHEMBL7081592 0.75 NPC1 (0.56) NPC1RAB9APOLBLMNASMN1; SMN2
SCHEMBL9179117 0.74 NPC1 (0.42) NPC1RAB9APOLBLMNATSHR
SCHEMBL14997992 0.72 NPC1 (0.56) NPC1RAB9APOLBAMY1ALMNA
SCHEMBL11820175 0.72 AMY1A (0.58) AMY1ACNR2GPR55CA12CA1
SCHEMBL3027866 0.72 AMY1A (0.58) AMY1ACNR2GPR55CA12CA1
SCHEMBL31267541 0.72 NPC1 (0.66) NPC1RAB9APOLBAMY1ALMNA
SCHEMBL258759 0.72 NPC1 (0.66) NPC1RAB9APOLBAMY1ALMNA
SCHEMBL29494818 0.72 NPC1 (0.66) NPC1RAB9APOLBAMY1ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5262541-A Reaction with sugar as a reducing agent FAIRMONT CHEMICAL COMPANY, INC. (US) 1993-11-16 US disclosed
EP-0257151-B1 METHOD FOR PREPARING 2-PHENYLBENZOTRIAZOLES AND 2-PHENYLBENZOTRIAZOLE-N-OXIDES CHEMIPRO KASEI KAISHA, LTD. (JP) 1992-01-29 EP disclosed
US-4943637-A Method for preparing 2-phenylbenzotriazoles CHEMIPRO KASEI KAISHA, LTD. (JP) 1990-07-24 US disclosed
US-4835284-A Method for preparing 2-phenylbenzotriazoles and 2-phenylbenzotriazole-N-oxides CHEMIPRO KASEI KAISHA, LTD. (JP) 1989-05-30 US disclosed
US-4780541-A Method for preparing 2-phenylbenzotriazoles and 2-phenylbenzotriazole-N-oxides CHEMIPRO KASEI KAISHA, LTD. (JP) 1988-10-25 US disclosed