SCHEMBL9460734

SCHEMBL9460734

Cc1cc(C(C)c2ccccc2)c(O)c(-n2nc3cc(Cl)ccc3[n+]2[O-])c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
GABRA4 P48169 1/20 0.32
GABRE P78334 1/20 0.32
GABRA6 Q16445 1/20 0.32
GABRG1 Q8N1C3 1/20 0.32
GABRG3 Q99928 1/20 0.32
GABRQ Q9UN88 1/20 0.32
TYR P14679 1/20 0.31
GAA P10253 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
SCHEMBL11735542 0.92 NPC1 (0.35) NPC1RAB9AGABRPGABRDGABRA1
SCHEMBL9179117 0.89 NPC1 (0.42) NPC1RAB9ATYRGAATSHR
SCHEMBL10788413 0.79 NPC1 (0.53) NPC1RAB9ATYRGAATSHR
SCHEMBL7081279 0.77 SMN1; SMN2 (0.38) NPC1RAB9ATYRALDH1A1HSD17B10
SCHEMBL9183011 0.72 NPC1 (0.58) NPC1RAB9ATYRGAATSHR
SCHEMBL9460562 0.71 CNR1 (0.36) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL3279274 0.70 ALDH1A1 (0.55) NPC1RAB9AHTTNPSR1KDM4E
SCHEMBL7521249 0.70 KDM4E (0.31) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL3278042 0.70 NPC1 (0.45) NPC1RAB9AGABRA1GABRG2GABRB3
SCHEMBL11616637 0.70 NPC1 (0.43) NPC1RAB9AGABRA1GABRB1TYR

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