SCHEMBL3907480

SCHEMBL3907480

CCNc1cccc(C)c1-c1ccsc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
CASP1 P29466 1/20 0.42
BRCA1 P38398 1/20 0.42
CASP7 P55210 1/20 0.42
KMT2A Q03164 1/20 0.42
PRMT6 Q96LA8 1/20 0.39
GAA P10253 5/20 0.39
MAPT P10636 5/20 0.39
TP53 P04637 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
S1PR4 O95977 1/20 0.37
CYP2E1 P05181 1/20 0.36
CYP2A6 P11509 1/20 0.36
CYP2B6 P20813 1/20 0.36
HTT P42858 1/20 0.35
IDH2 P48735 1/20 0.35
PKM P14618 1/20 0.34
PKLR P30613 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL3907344 0.79 ADRA2C (0.46) MEN1USP2CASP1BRCA1CASP7
SCHEMBL3916722 0.75 QPCT (0.53) MEN1USP2CASP1BRCA1CASP7
SCHEMBL3902108 0.74 ADORA2A (0.40) MEN1USP2CASP1BRCA1CASP7
SCHEMBL27466376 0.70 CD44 (0.46) MEN1USP2CASP1BRCA1CASP7
SCHEMBL1132878 0.69 CYP2A6 (0.45) MEN1USP2KMT2AGAAMAPT
SCHEMBL1122539 0.69 MAPT (0.53) MEN1USP2CASP1BRCA1CASP7
SCHEMBL442009 0.68 MAPT (0.70) MEN1KMT2AGAAMAPTHTT
SCHEMBL29512293 0.68 MAPT (0.70) MEN1KMT2AGAAMAPTHTT
SCHEMBL29512292 0.68 MAPT (0.70) MEN1KMT2AGAAMAPTHTT
SCHEMBL3915600 0.68 MEN1 (0.45) MEN1USP2CASP1BRCA1CASP7

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-2018364-A1 THERAPEUTIC FLUOROETHYL UREAS Allergan, Inc. (US) 2009-01-28 EP disclosed
WO-2007137029-A1 THERAPEUTIC FLUOROETHYL UREAS ALLERGAN, INC. (US) 2007-11-29 WO disclosed