SCHEMBL19220488

SCHEMBL19220488

Cc1cncc(-c2nc3c(o2)C(=O)c2ccccc2C3=O)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP1 O94782 6/20 0.66
USP8 P40818 4/20 0.66
OTUB1 Q96FW1 4/20 0.66
USP2 O75604 3/20 0.66
USP36 Q9P275 3/20 0.66
USP19 O94966 2/20 0.63
WDR48 Q8TAF3 1/20 0.63
UCHL3 P15374 1/20 0.58
KMT2A Q03164 1/20 0.41
KDR P35968 2/20 0.39
MAPT P10636 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
IDO1 P14902 3/20 0.37
PTGS2 P35354 1/20 0.37
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36

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
SCHEMBL7812967 0.84 USP1 (0.71) USP1USP8OTUB1USP2USP36
SCHEMBL7968066 0.82 USP1 (0.77) USP1USP8OTUB1USP2USP36
SCHEMBL29493043 0.80 USP1 (1.00) USP1USP8OTUB1USP2USP36
SCHEMBL19198053 0.80 USP1 (1.00) USP1USP8OTUB1USP2USP36
SCHEMBL19220486 0.79 USP1 (0.82) USP1USP8OTUB1USP2USP36
SCHEMBL29629184 0.78 USP1 (1.00) USP1USP8OTUB1USP2USP36
SCHEMBL7808226 0.78 USP1 (1.00) USP1USP8OTUB1USP2USP36
SCHEMBL29629183 0.78 USP1 (1.00) USP1USP8OTUB1USP2USP36
SCHEMBL19220487 0.77 USP1 (0.67) USP1USP8OTUB1USP2USP36
SCHEMBL7808410 0.76 USP1 (0.77) USP1USP8OTUB1USP2USP36

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