SCHEMBL2824786

SCHEMBL2824786

Cc1nc(OC(=O)Nc2ccnc(Cl)c2)c(Nc2ccc(F)cc2)s1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.46
SMARCA2 P51531 9/20 0.43
SMARCA4 P51532 8/20 0.43
CDK2 P24941 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
AR P10275 1/20 0.37
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL2830759 0.92 SMARCA2 (0.43) GRM5SMARCA2SMARCA4NPC1RAB9A
SCHEMBL2828939 0.92 SMARCA2 (0.48) GRM5SMARCA2SMARCA4NPC1RAB9A
SCHEMBL2829033 0.88 GRM5 (0.44) GRM5SMARCA2SMARCA4AR
SCHEMBL2826248 0.88 SMARCA2 (0.56) GRM5SMARCA2SMARCA4NPC1RAB9A
SCHEMBL2831187 0.86 GRM5 (0.57) GRM5SMARCA2SMARCA4NPC1RAB9A
SCHEMBL2826560 0.84 GRM5 (0.46) GRM5SMARCA2SMARCA4NPC1RAB9A
SCHEMBL2827196 0.84 GRM5 (0.58) GRM5SMARCA2SMARCA4NPC1
SCHEMBL2827812 0.83 SMARCA2 (0.46) GRM5SMARCA2SMARCA4NPC1RAB9A
SCHEMBL2829478 0.83 SMARCA2 (0.53) GRM5SMARCA2SMARCA4NPC1RAB9A
SCHEMBL2826716 0.82 GRM5 (0.50) GRM5SMARCA2SMARCA4NPC1RAB9A

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