SCHEMBL9621856

SCHEMBL9621856

CC(C)(C)c1cccc(-n2nc3ccccc3[n+]2[O-])c1O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CA2 P00918 1/20 0.41
ALOX12 P18054 1/20 0.38
ATM Q13315 1/20 0.38
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
ALDH1A1 P00352 3/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL9178544 0.84 SMN1; SMN2 (0.41) NPC1RAB9ACA2ALDH1A1NPSR1
SCHEMBL9182116 0.84 NPC1 (0.40) NPC1RAB9ANPSR1TSHR
SCHEMBL7525387 0.77 NPC1 (0.37) NPC1RAB9ATSHR
SCHEMBL11729209 0.77 RAB9A (0.47) NPC1RAB9AALDH1A1NPSR1KDM4E
SCHEMBL9460463 0.76 NPC1 (0.38) NPC1RAB9AALDH1A1
SCHEMBL9176034 0.75 NPC1 (0.41) NPC1RAB9AALDH1A1TSHRTDP1
SCHEMBL6861439 0.74 NPC1 (0.35) NPC1RAB9A
SCHEMBL3283327 0.74 NPC1 (0.50) NPC1RAB9AALDH1A1TSHRKDM4E
SCHEMBL424271 0.74 CA2 (0.52) NPC1RAB9ACA2ALOX12ATM
SCHEMBL29501855 0.74 CA2 (0.52) NPC1RAB9ACA2ALOX12ATM

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-0257151-B1 METHOD FOR PREPARING 2-PHENYLBENZOTRIAZOLES AND 2-PHENYLBENZOTRIAZOLE-N-OXIDES CHEMIPRO KASEI KAISHA, LTD. (JP) 1992-01-29 EP disclosed
EP-0257151-A1 Method for preparing 2-phenylbenzotriazoles and 2-phenylbenzotriazole-N-oxides CHEMIPRO KASEI KAISHA, LTD. (JP) 1988-03-02 EP disclosed