SCHEMBL2831334

SCHEMBL2831334

Cc1cc(NC(=O)Oc2nc(C)sc2Nc2cncc(F)c2)ccn1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.54
PORCN Q9H237 2/20 0.39
SMARCA2 P51531 1/20 0.38
SMARCA4 P51532 1/20 0.38
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
SORT1 Q99523 2/20 0.33
MEN1 O00255 1/20 0.33
POLQ O75417 1/20 0.33

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
SCHEMBL2829033 0.91 GRM5 (0.44) GRM5SMARCA2SMARCA4CYP1A2CYP3A4
SCHEMBL2833088 0.90 GRM5 (0.56) GRM5PORCNSMARCA2SMARCA4CYP3A4
SCHEMBL2826716 0.90 GRM5 (0.50) GRM5PORCNSMARCA2SMARCA4KMT2A
SCHEMBL2826318 0.89 GRM5 (0.54) GRM5PORCNSMARCA2SMARCA4KMT2A
SCHEMBL2833093 0.88 GRM5 (0.69) GRM5PORCNSMARCA2SMARCA4KMT2A
SCHEMBL2828969 0.88 GRM5 (0.52) GRM5PORCNSMARCA2SMARCA4KMT2A
SCHEMBL2828392 0.88 GRM5 (0.52) GRM5PORCNSMARCA2SMARCA4KMT2A
SCHEMBL2831342 0.88 GRM5 (0.53) GRM5PORCNSMARCA2SMARCA4CYP3A4
SCHEMBL2829130 0.87 GRM5 (0.51) GRM5PORCNSMARCA2SMARCA4KMT2A
SCHEMBL2832198 0.87 GRM5 (0.52) GRM5PORCNSMARCA2SMARCA4KMT2A

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