SCHEMBL2826577

SCHEMBL2826577

Cc1csc(NC(=O)Oc2nc(C)sc2Nc2cnn(C)c2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MAPT P10636 1/20 0.37
NPC1 O15118 5/20 0.36
POLB P06746 3/20 0.36
HPGD P15428 2/20 0.36
PKM P14618 1/20 0.36
KDM4E B2RXH2 2/20 0.35
GAA P10253 1/20 0.35
ALDH1A1 P00352 2/20 0.35
TSHR P16473 2/20 0.35
HSD17B10 Q99714 2/20 0.35
MAPK1 P28482 1/20 0.35
CNR2 P34972 1/20 0.35
MEN1 O00255 1/20 0.35
CASP3 P42574 1/20 0.35
KMT2A Q03164 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35

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
SCHEMBL2830798 0.83 GRM5 (0.44) RAB9ASMN1; SMN2MAPTNPC1POLB
SCHEMBL15664898 0.82 MAPT (0.39) RAB9ASMN1; SMN2MAPTNPC1POLB
SCHEMBL2828434 0.81 MAPT (0.50) RAB9ASMN1; SMN2MAPTNPC1POLB
SCHEMBL2829129 0.81 GRM5 (0.41) RAB9ASMN1; SMN2MAPTNPC1POLB
SCHEMBL2830138 0.80 GRM5 (0.49) SMARCA2SMARCA4
SCHEMBL2827951 0.80 NPC1 (0.41) RAB9ASMN1; SMN2MAPTNPC1POLB
SCHEMBL2827578 0.80 GRM5 (0.50) RAB9ASMN1; SMN2MAPTNPC1POLB
SCHEMBL2830868 0.79 MAPT (0.46) RAB9ASMN1; SMN2MAPTNPC1POLB
SCHEMBL2829064 0.79 GRM5 (0.41) RAB9ASMN1; SMN2MAPTNPC1KDM4E
SCHEMBL2826802 0.79 RAB9A (0.43) RAB9ASMN1; SMN2MAPTNPC1POLB

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