SCHEMBL2826802

SCHEMBL2826802

Cc1csc(NC(=O)Oc2nc(C)sc2Nc2cncc(Cl)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.43
NPC1 O15118 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 2/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.42
GRM5 P41594 6/20 0.41
SMARCA2 P51531 1/20 0.41
SMARCA4 P51532 1/20 0.41
CYP3A4 P08684 1/20 0.41
KDM4E B2RXH2 2/20 0.40
HTT P42858 2/20 0.40
GCK P35557 2/20 0.40
GAA P10253 1/20 0.39
ALOX12 P18054 1/20 0.39
SCD O00767 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
SCHEMBL2829064 0.88 GRM5 (0.41) RAB9ANPC1SMN1; SMN2MAPTGRM5
SCHEMBL2830798 0.87 GRM5 (0.44) RAB9ANPC1SMN1; SMN2MAPTPOLB
SCHEMBL2829032 0.87 NPC1 (0.41) RAB9ANPC1SMN1; SMN2MAPTGRM5
SCHEMBL2826277 0.86 NPC1 (0.40) RAB9ANPC1SMN1; SMN2MAPTGRM5
SCHEMBL2827578 0.83 GRM5 (0.50) RAB9ANPC1SMN1; SMN2MAPTPOLB
SCHEMBL2828434 0.83 MAPT (0.50) RAB9ANPC1SMN1; SMN2MEN1MAPT
SCHEMBL2828924 0.82 SMARCA2 (0.61) RAB9ANPC1SMN1; SMN2MEN1LMNA
SCHEMBL2829129 0.82 GRM5 (0.41) RAB9ANPC1SMN1; SMN2MEN1LMNA
SCHEMBL2826318 0.82 GRM5 (0.54) RAB9ANPC1MEN1MAPTKMT2A
SCHEMBL2826560 0.80 GRM5 (0.46) RAB9ANPC1MAPTGRM5SMARCA2

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