SCHEMBL2830218

SCHEMBL2830218

Cc1cccc(NC(=O)Oc2ncsc2NCc2ccccc2)n1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.46
RAB9A P51151 7/20 0.45
NPC1 O15118 6/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 2/20 0.43
TSHR P16473 1/20 0.42
ALDH1A1 P00352 2/20 0.41
GRM5 P41594 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 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
SCHEMBL2830130 0.84 FAAH (0.44) GBA1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL2830797 0.84 RAB9A (0.51) GBA1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL2831443 0.83 RAB9A (0.49) GBA1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL2830110 0.80 RAB9A (0.46) GBA1RAB9ANPC1MAPTKMT2A
SCHEMBL2831394 0.79 RAB9A (0.43) GBA1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL2826574 0.78 ALDH1A1 (0.47) GBA1RAB9ANPC1MAPTKMT2A
SCHEMBL2829836 0.78 RAB9A (0.42) GBA1RAB9ANPC1MAPTKMT2A
SCHEMBL2826024 0.77 ALDH1A1 (0.48) RAB9ANPC1MAPTSMN1; SMN2KMT2A
SCHEMBL2830006 0.77 RAB9A (0.44) GBA1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL2827187 0.77 LCK (0.45) GBA1RAB9ANPC1MAPTKMT2A

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