SCHEMBL2828525

SCHEMBL2828525

Cc1cc(NC(=O)Oc2nc(C)sc2NC2CC2)ccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.47
SMARCA2 P51531 3/20 0.43
SMARCA4 P51532 3/20 0.43
PORCN Q9H237 2/20 0.39
SORT1 Q99523 3/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PDE10A Q9Y233 1/20 0.35
F2RL3 Q96RI0 1/20 0.34
ABL1 P00519 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NPC1 O15118 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 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
SCHEMBL2826248 0.82 SMARCA2 (0.56) GRM5SMARCA2SMARCA4PORCNSORT1
SCHEMBL2828469 0.81 GRM4 (0.41) GRM5SMARCA2SMARCA4PORCN
SCHEMBL2833093 0.81 GRM5 (0.69) GRM5SMARCA2SMARCA4PORCNSORT1
SCHEMBL2826716 0.81 GRM5 (0.50) GRM5SMARCA2SMARCA4PORCNSORT1
SCHEMBL2828483 0.80 GRM5 (0.47) GRM5SMARCA2SMARCA4PORCNALDH1A1
SCHEMBL2827141 0.80 GRM5 (0.47) GRM5SMARCA2SMARCA4PORCNSORT1
SCHEMBL2829934 0.80 GRM5 (0.52) GRM5SMARCA2SMARCA4PORCNSORT1
SCHEMBL2830138 0.80 GRM5 (0.49) GRM5SMARCA2SMARCA4PORCN
SCHEMBL2826472 0.79 GRM5 (0.41) GRM5SMARCA2SMARCA4PORCNPDE10A
SCHEMBL2828828 0.79 GRM5 (0.46) GRM5SMARCA2SMARCA4PORCNSORT1

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