SCHEMBL2824734

SCHEMBL2824734

Cc1csc(NC(=O)Oc2nc(C)sc2N(C)C)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.46
NPC1 O15118 11/20 0.46
POLB P06746 2/20 0.46
MAPT P10636 2/20 0.45
HPGD P15428 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
RECQL P46063 1/20 0.41
GLA P06280 1/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 2/20 0.40
GAA P10253 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
HTT P42858 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
SCHEMBL2830868 0.81 MAPT (0.46) RAB9ANPC1POLBMAPTHPGD
SCHEMBL2824581 0.77 RAB9A (0.48) RAB9ANPC1MAPTSMN1; SMN2KMT2A
SCHEMBL2828836 0.75 NPC1 (0.42) RAB9ANPC1POLBMAPTHPGD
SCHEMBL2830798 0.75 GRM5 (0.44) RAB9ANPC1POLBMAPTHPGD
SCHEMBL2831340 0.75 NPC1 (0.47) RAB9ANPC1MAPTHPGDSMN1; SMN2
SCHEMBL2828434 0.75 MAPT (0.50) RAB9ANPC1POLBMAPTHPGD
SCHEMBL2829129 0.74 GRM5 (0.41) RAB9ANPC1POLBMAPTHPGD
SCHEMBL6841098 0.73 MAPT (0.62) RAB9ANPC1POLBMAPTHPGD
SCHEMBL2825830 0.72 RAB9A (0.44) RAB9ANPC1MAPTSMN1; SMN2GLA
SCHEMBL2828219 0.72 SMARCA2 (0.49) RAB9ANPC1POLBMAPTHPGD

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