SCHEMBL9460732

SCHEMBL9460732

Cc1cc(Cc2ccccc2C)c(O)c(-n2nc3cc(Cl)ccc3[n+]2[O-])c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PPARG P37231 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NR2E3 Q9Y5X4 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
POLB P06746 1/20 0.31
TERT O14746 1/20 0.30
AMY1A P0DUB6 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
HIF1A Q16665 1/20 0.30
CNR2 P34972 1/20 0.30
GPR55 Q9Y2T6 1/20 0.30
PLK1 P53350 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
SCHEMBL9460486 0.88 NPC1 (0.38) NPC1RAB9AHSD17B10POLBAMY1A
SCHEMBL7081279 0.78 SMN1; SMN2 (0.38) NPC1RAB9AALDH1A1HSD17B10POLB
SCHEMBL9460734 0.77 NPC1 (0.35) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL3279686 0.75 ALDH1A1 (0.33) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL3280651 0.72 ALDH1A1 (0.34) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL3279274 0.71 ALDH1A1 (0.55) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL15910157 0.70 NPC1 (0.55) NPC1RAB9ARXFP1KDM4EALDH1A1
SCHEMBL9460562 0.69 CNR1 (0.36) KDM4EALDH1A1HPGDHSD17B10CNR2
SCHEMBL11728530 0.69 SMN1; SMN2 (0.38) NPC1RAB9AALDH1A1HSD17B10POLB
SCHEMBL9178179 0.69 HSP90AA1 (0.32) CYP2C9CYP2C19

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-5262541-A Reaction with sugar as a reducing agent FAIRMONT CHEMICAL COMPANY, INC. (US) 1993-11-16 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