SCHEMBL2832364

SCHEMBL2832364

CCc1cccc(NC(=O)Oc2ncsc2Nc2cccnc2)n1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.55
PIK3CA P42336 1/20 0.40
SYK P43405 1/20 0.40
NAMPT P43490 3/20 0.40
CHRNB2 P17787 2/20 0.39
CHRNB4 P30926 2/20 0.39
CHRNA3 P32297 2/20 0.39
CHRNA4 P43681 2/20 0.39
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
RAB9A P51151 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL2825843 0.87 GRM5 (0.58) GRM5NAMPTNPC1RAB9A
SCHEMBL2829501 0.86 GRM5 (0.45) GRM5NAMPTRAB9A
SCHEMBL2828918 0.85 GRM5 (0.44) GRM5PIK3CANAMPTCHRNB2CHRNA4
SCHEMBL2828432 0.83 GRM5 (0.42) GRM5NAMPT
SCHEMBL2829262 0.81 GRM5 (0.44) GRM5PIK3CANAMPTMAPT
SCHEMBL2831112 0.79 IRAK4 (0.46) GRM5NAMPTMAPTPKM
SCHEMBL2830049 0.77 GRM5 (0.60) GRM5PIK3CANAMPTMAPT
SCHEMBL2824997 0.77 GRM5 (0.48) GRM5NAMPTNPC1MAPTRAB9A
SCHEMBL2829497 0.77 LMNA (0.49) GRM5NPC1MAPTRAB9A
SCHEMBL2829704 0.76 GRM5 (0.57) GRM5NPC1MAPTRAB9A

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