SCHEMBL18155436

SCHEMBL18155436

C=Cc1c(Cl)ccc2c1c1c(n2C(=O)OC(C)(C)C)C(=O)CC1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 8/20 0.35
F13A1 P00488 7/20 0.35
TGM1 P22735 7/20 0.35
TGM3 Q08188 1/20 0.35
CCNB2 O95067 1/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
GSK3B P49841 1/20 0.34
CCNB3 Q8WWL7 1/20 0.34
NR1H2 P55055 1/20 0.33
TTK P33981 1/20 0.31
TP53 P04637 1/20 0.31
CREBBP Q92793 1/20 0.31
STS P08842 1/20 0.30
AURKA O14965 1/20 0.30
CDK2 P24941 1/20 0.30
CACNA1B Q00975 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL2360361 0.85 CCNB2 (0.36) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL29896524 0.79 TP53 (0.39) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL30788004 0.79 TP53 (0.37) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL22529425 0.79 TP53 (0.37) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL2360890 0.79 TP53 (0.39) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL30787995 0.76 CCNB2 (0.39) TGM2F13A1TGM1TGM3CCNB2
SCHEMBL2360130 0.76 CCNB2 (0.39) TGM2F13A1TGM1TGM3CCNB2
SCHEMBL2359990 0.73 TP53 (0.40) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL8791684 0.71 TP53 (0.60) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL22529406 0.70 TP53 (0.41) CCNB2CDK1CCNB1GSK3BCCNB3

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
EP-2531029-B1 SELECTIVE ANDROGEN RECEPTOR MODULATORS RADIUS HEALTH INC (US) 2016-10-19 EP disclosed