SCHEMBL2829552

SCHEMBL2829552

Cc1csc(NC(=O)Oc2ncsc2Nc2c(Cl)cccc2Cl)n1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.47
NPC1 O15118 10/20 0.47
POLB P06746 2/20 0.47
GCK P35557 3/20 0.45
GRM5 P41594 1/20 0.45
SCD O00767 2/20 0.45
NPSR1 Q6W5P4 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
SMARCA2 P51531 1/20 0.43
SMARCA4 P51532 1/20 0.43
HPGD P15428 2/20 0.43
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40

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
SCHEMBL2827187 0.84 LCK (0.45) RAB9ANPC1POLBGRM5MAPT
SCHEMBL2828877 0.84 RAB9A (0.52) RAB9ANPC1POLBGCKSCD
SCHEMBL2827802 0.82 SCD (0.48) RAB9ANPC1POLBGCKSCD
SCHEMBL2830217 0.80 RAB9A (0.41) RAB9ANPC1GRM5NPSR1SMN1; SMN2
SCHEMBL2828965 0.80 ALDH1A1 (0.46) POLBNPSR1SMN1; SMN2MAPTKMT2A
SCHEMBL2824997 0.79 GRM5 (0.48) RAB9ANPC1POLBGRM5SMN1; SMN2
SCHEMBL2830126 0.78 NPC1 (0.42) RAB9ANPC1POLBGCKGRM5
SCHEMBL2828968 0.78 MAPT (0.44) RAB9ANPC1POLBGRM5SMN1; SMN2
SCHEMBL2828532 0.78 NPC1 (0.44) RAB9ANPC1POLBGCKGRM5
SCHEMBL2833374 0.77 CHRNB2 (0.36) GRM5LMNA

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