SCHEMBL2825977

SCHEMBL2825977

Cc1cccc(NC(=O)Oc2ncsc2Nc2cc(F)cc(F)c2)n1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.50
RAB9A P51151 9/20 0.48
NPC1 O15118 8/20 0.48
GBA1 P04062 7/20 0.48
TP53 P04637 4/20 0.45
JAK2 O60674 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TSHR P16473 1/20 0.38

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
SCHEMBL2826737 0.93 RAB9A (0.56) GRM5RAB9ANPC1GBA1TP53
SCHEMBL2833180 0.91 RAB9A (0.54) GRM5RAB9ANPC1GBA1TP53
SCHEMBL2830797 0.87 RAB9A (0.51) GRM5RAB9ANPC1GBA1TP53
SCHEMBL2824990 0.87 RAB9A (0.51) GRM5RAB9ANPC1GBA1TP53
SCHEMBL2830006 0.85 RAB9A (0.44) GRM5RAB9ANPC1GBA1TP53
SCHEMBL2833195 0.85 RAB9A (0.43) GRM5RAB9ANPC1GBA1TP53
SCHEMBL2826324 0.84 NPC1 (0.58) GRM5RAB9ANPC1GBA1MEN1
SCHEMBL2830129 0.84 CYP1A2 (0.44) GRM5RAB9ANPC1GBA1TP53
SCHEMBL2829836 0.83 RAB9A (0.42) GRM5RAB9ANPC1GBA1TP53
SCHEMBL2825843 0.82 GRM5 (0.58) GRM5RAB9ANPC1GBA1MEN1

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