SCHEMBL2829105

SCHEMBL2829105

Cc1cc(NC(=O)Oc2nc(C)sc2Nc2cc(C(F)(F)F)nn2C)ccn1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.42
KCNT1 Q5JUK3 1/20 0.37
FLT3 P36888 2/20 0.36
SORT1 Q99523 1/20 0.36
HDAC4 P56524 1/20 0.35
SMARCA2 P51531 2/20 0.35
SMARCA4 P51532 2/20 0.35
TRPV1 Q8NER1 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 2/20 0.35
RAB9A P51151 1/20 0.35
PORCN Q9H237 1/20 0.35
MAPK14 Q16539 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TGFBR1 P36897 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MALT1 Q9UDY8 1/20 0.34

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
SCHEMBL2826472 0.83 GRM5 (0.41) GRM5SMARCA2SMARCA4PORCN
SCHEMBL2826446 0.83 GRM5 (0.46) GRM5SORT1HDAC4SMARCA2SMARCA4
SCHEMBL2833178 0.83 GRM5 (0.48) GRM5SORT1HDAC4SMARCA2SMARCA4
SCHEMBL2830053 0.80 GRM5 (0.41) GRM5SORT1HDAC4SMARCA2SMARCA4
SCHEMBL2830980 0.79 GRM5 (0.48) GRM5SORT1MAPTMAPK14MEN1
SCHEMBL2828392 0.79 GRM5 (0.52) GRM5SORT1HDAC4SMARCA2SMARCA4
SCHEMBL2826716 0.78 GRM5 (0.50) GRM5SORT1HDAC4SMARCA2SMARCA4
SCHEMBL2826248 0.77 SMARCA2 (0.56) GRM5SORT1SMARCA2SMARCA4NPC1
SCHEMBL2830138 0.77 GRM5 (0.49) GRM5SMARCA2SMARCA4PORCN
SCHEMBL2828828 0.77 GRM5 (0.46) GRM5SORT1SMARCA2SMARCA4NPC1

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