SCHEMBL2829074

SCHEMBL2829074

CC(=O)NCc1cccc(Nc2sc(C)nc2OC(=O)Nc2ccnc(C)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.47
SYK P43405 2/20 0.43
BRD4 O60885 2/20 0.39
ROCK1 Q13464 3/20 0.38
ROCK2 O75116 1/20 0.38
USP2 O75604 1/20 0.38
SENP5 Q96HI0 1/20 0.38
SENP2 Q9HC62 1/20 0.38
SENP1 Q9P0U3 1/20 0.38
MAPK1 P28482 4/20 0.37
PORCN Q9H237 1/20 0.37
GPR142 Q7Z601 1/20 0.37
SMARCA2 P51531 1/20 0.35
SMARCA4 P51532 1/20 0.35
F7 P08709 1/20 0.35
F3 P13726 1/20 0.35

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
SCHEMBL2826783 0.89 GRM5 (0.49) GRM5SYKMAPK1PORCNGPR142
SCHEMBL2829461 0.88 GRM5 (0.48) GRM5ROCK1MAPK1PORCNGPR142
SCHEMBL2830226 0.86 MET (0.39) SYKBRD4ROCK1ROCK2USP2
SCHEMBL2829130 0.83 GRM5 (0.51) GRM5PORCNSMARCA2SMARCA4
SCHEMBL2826236 0.82 GRM5 (0.49) GRM5SYKROCK1
SCHEMBL2826248 0.81 SMARCA2 (0.56) GRM5PORCNSMARCA2SMARCA4
SCHEMBL2829701 0.81 GRM5 (0.48) GRM5PORCN
SCHEMBL2828966 0.81 GRM5 (0.40) GRM5ROCK1MAPK1SMARCA2SMARCA4
SCHEMBL2830980 0.81 GRM5 (0.48) GRM5SYKUSP2
SCHEMBL2826714 0.81 GRM5 (0.70) GRM5PORCNSMARCA2SMARCA4

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-1844044-B1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-07-21 EP claimed