SCHEMBL2828434

SCHEMBL2828434

Cc1csc(NC(=O)Oc2nc(C)sc2Nc2ccncc2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
SMARCA2 P51531 1/20 0.44
SMARCA4 P51532 1/20 0.44
RAB9A P51151 5/20 0.44
NPC1 O15118 3/20 0.44
HPGD P15428 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 3/20 0.42
TRPV4 Q9HBA0 1/20 0.41
POLB P06746 2/20 0.40
KDM4E B2RXH2 2/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
MAPK1 P28482 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TSHR P16473 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 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
SCHEMBL2828219 0.89 SMARCA2 (0.49) MAPTSMARCA2SMARCA4RAB9ANPC1
SCHEMBL2827578 0.88 GRM5 (0.50) MAPTRAB9ANPC1HPGDSMN1; SMN2
SCHEMBL2830798 0.87 GRM5 (0.44) MAPTRAB9ANPC1HPGDSMN1; SMN2
SCHEMBL2828924 0.87 SMARCA2 (0.61) MAPTSMARCA2SMARCA4RAB9ANPC1
SCHEMBL2829129 0.84 GRM5 (0.41) MAPTSMARCA2SMARCA4RAB9ANPC1
SCHEMBL2828836 0.83 NPC1 (0.42) MAPTSMARCA2SMARCA4RAB9ANPC1
SCHEMBL2830868 0.83 MAPT (0.46) MAPTRAB9ANPC1HPGDSMN1; SMN2
SCHEMBL2826802 0.83 RAB9A (0.43) MAPTSMARCA2SMARCA4RAB9ANPC1
SCHEMBL2829064 0.83 GRM5 (0.41) MAPTSMARCA2SMARCA4RAB9ANPC1
SCHEMBL2828477 0.82 NPC1 (0.44) MAPTSMARCA2SMARCA4RAB9ANPC1

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