SCHEMBL8518294

SCHEMBL8518294

CCc1nc(-c2ccccc2)oc1-c1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.48
USP1 O94782 1/20 0.48
USP8 P40818 1/20 0.48
OTUB1 Q96FW1 1/20 0.48
USP36 Q9P275 1/20 0.48
ALDH1A1 P00352 7/20 0.48
HSD17B10 Q99714 4/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
F2 P00734 1/20 0.47
NPC1 O15118 7/20 0.47
RAB9A P51151 7/20 0.47
SMN1; SMN2 Q16637 6/20 0.47
KDM4E B2RXH2 5/20 0.47
TP53 P04637 5/20 0.47
HPGD P15428 4/20 0.47
MAPT P10636 2/20 0.47
PDE10A Q9Y233 1/20 0.44
CYP3A4 P08684 3/20 0.43
CYP2C19 P33261 3/20 0.43

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
SCHEMBL13116254 0.90 CYP19A1 (0.45) USP2USP1USP8OTUB1USP36
SCHEMBL14736710 0.85 USP2 (0.48) USP2USP1USP8OTUB1USP36
SCHEMBL14736234 0.85 USP2 (0.48) USP2USP1USP8OTUB1USP36
SCHEMBL14736291 0.82 USP2 (0.46) USP2USP1USP8OTUB1USP36
SCHEMBL14736207 0.81 USP2 (0.48) USP2USP1USP8OTUB1USP36
SCHEMBL13633903 0.80 ALDH1A1 (0.50) ALDH1A1HSD17B10KMT2AMEN1F2
Hydrochloric Acid SCHEMBL2819349 0.80 CYP2A6 (0.55) ALDH1A1HSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL14736549 0.79 IKBKB (0.50) USP2USP1USP8OTUB1USP36
SCHEMBL14764298 0.75 USP2 (0.48) USP2USP1USP8OTUB1USP36
SCHEMBL266619 0.74 KDM4E (0.66) KMT2AMEN1NPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5945539-A ENZYME INHIBITOR JAPAN TOBACCO, INC. (JP) 1999-08-31 US disclosed