SCHEMBL19220486

SCHEMBL19220486

O=C1c2ccccc2C(=O)c2oc(-c3ccncc3)nc21

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP1 O94782 4/20 0.82
USP19 O94966 2/20 0.82
WDR48 Q8TAF3 1/20 0.82
USP2 O75604 2/20 0.74
USP8 P40818 2/20 0.74
OTUB1 Q96FW1 2/20 0.74
USP36 Q9P275 1/20 0.74
UCHL3 P15374 1/20 0.73
IDO1 P14902 4/20 0.54
TDO2 P48775 1/20 0.50
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
ALDH1A1 P00352 3/20 0.45
TP53 P04637 2/20 0.45
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HSD17B10 Q99714 2/20 0.45
MAPK10 P53779 1/20 0.45

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
SCHEMBL29629184 0.90 USP1 (1.00) USP1USP19WDR48USP2USP8
SCHEMBL7808226 0.90 USP1 (1.00) USP1USP19WDR48USP2USP8
SCHEMBL29629183 0.90 USP1 (1.00) USP1USP19WDR48USP2USP8
SCHEMBL19198053 0.85 USP1 (1.00) USP1USP19WDR48USP2USP8
SCHEMBL29493043 0.85 USP1 (1.00) USP1USP19WDR48USP2USP8
SCHEMBL7968066 0.84 USP1 (0.77) USP1USP19WDR48USP2USP8
SCHEMBL31276578 0.84 USP1 (1.00) USP1USP19WDR48USP2USP8
SCHEMBL7815859 0.84 USP1 (1.00) USP1USP19WDR48USP2USP8
SCHEMBL19225117 0.84 USP1 (0.77) USP1USP19WDR48USP2USP8
SCHEMBL7808410 0.84 USP1 (0.77) USP1USP19WDR48USP2USP8

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-9725425-B1 Compounds and methods for treating cancer DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-08-08 US disclosed
US-9725425-B1 Compounds and methods for treating cancer DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-08-08 US disclosed