SCHEMBL2830797

SCHEMBL2830797

Cc1cccc(NC(=O)Oc2ncsc2Nc2ccccc2)n1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.51
NPC1 O15118 9/20 0.51
GBA1 P04062 6/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
GRM5 P41594 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 4/20 0.42
TP53 P04637 2/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL2833180 0.90 RAB9A (0.54) RAB9ANPC1GBA1MEN1KMT2A
SCHEMBL2826737 0.88 RAB9A (0.56) RAB9ANPC1GBA1MEN1KMT2A
SCHEMBL2825843 0.88 GRM5 (0.58) RAB9ANPC1GBA1MEN1KMT2A
SCHEMBL2826324 0.87 NPC1 (0.58) RAB9ANPC1GBA1MEN1KMT2A
SCHEMBL2830129 0.87 CYP1A2 (0.44) RAB9ANPC1GBA1MEN1KMT2A
SCHEMBL2827177 0.87 ALDH1A1 (0.46) MEN1KMT2AGRM5
SCHEMBL2825977 0.87 GRM5 (0.50) RAB9ANPC1GBA1MEN1KMT2A
SCHEMBL2830110 0.87 RAB9A (0.46) RAB9ANPC1GBA1MEN1KMT2A
SCHEMBL2824990 0.86 RAB9A (0.51) RAB9ANPC1GBA1MEN1KMT2A
SCHEMBL2831443 0.86 RAB9A (0.49) RAB9ANPC1GBA1MEN1KMT2A

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