SCHEMBL19933938

SCHEMBL19933938

COc1ccccc1-c1c(-c2ccncc2)nnn1CC(=O)OCC(C)C

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
USP2 O75604 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL19933746 0.88 TP53 (0.44) TP53
SCHEMBL19933819 0.86 TP53 (0.52) TP53
SCHEMBL19933966 0.85 TP53 (0.46) TP53
SCHEMBL19926497 0.84 USP2 (0.43) USP2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL19933939 0.84 USP2 (0.40) USP2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL19933881 0.83 TP53 (0.43) TP53
SCHEMBL19933953 0.82 MAPK14 (0.56)
SCHEMBL19933822 0.80 TP53 (0.56) TP53MEN1KMT2A
SCHEMBL19933946 0.79 TP53 (0.48) TP53
SCHEMBL19933978 0.78 MAPK14 (0.44) TP53

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
WO-2018045182-A1 DISUBSTITUTED AND TRISUBTITUTED 1,2,3-TRIAZOLES AS WNT INHIBITORS THE BOARD OF REGENTS OF HTE UNIVERSITY OF TEXAS SYSTEM (US) 2018-03-08 WO disclosed