SCHEMBL2830759

SCHEMBL2830759

Cc1nc(OC(=O)Nc2ccnc(Cl)c2)c(Nc2cc(F)cc(F)c2)s1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMARCA2 P51531 9/20 0.43
SMARCA4 P51532 8/20 0.43
GRM5 P41594 6/20 0.42
AR P10275 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
EGFR P00533 1/20 0.34
FGFR1 P11362 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
SCHEMBL2824786 0.92 GRM5 (0.46) SMARCA2SMARCA4GRM5ARNPC1
SCHEMBL2828939 0.92 SMARCA2 (0.48) SMARCA2SMARCA4GRM5NPC1RAB9A
SCHEMBL2826716 0.91 GRM5 (0.50) SMARCA2SMARCA4GRM5NPC1RAB9A
SCHEMBL2829033 0.90 GRM5 (0.44) SMARCA2SMARCA4GRM5AR
SCHEMBL2826546 0.88 GRM5 (0.46) SMARCA2SMARCA4GRM5NPC1RAB9A
SCHEMBL2826248 0.88 SMARCA2 (0.56) SMARCA2SMARCA4GRM5NPC1RAB9A
SCHEMBL2826556 0.87 GRM5 (0.39) GRM5NPC1RAB9ARXFP1POLB
SCHEMBL2831187 0.86 GRM5 (0.57) SMARCA2SMARCA4GRM5NPC1RAB9A
SCHEMBL2827196 0.84 GRM5 (0.58) SMARCA2SMARCA4GRM5NPC1KMT2A
SCHEMBL2826560 0.84 GRM5 (0.46) SMARCA2SMARCA4GRM5NPC1RAB9A

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