SCHEMBL2829934

SCHEMBL2829934

Cc1cc(NC(=O)Oc2nc(C)sc2Nc2cnnc(C)c2)ccn1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.52
SMARCA2 P51531 2/20 0.40
SMARCA4 P51532 2/20 0.40
PORCN Q9H237 2/20 0.39
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
SORT1 Q99523 3/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ATR Q13535 1/20 0.32
HDAC4 P56524 1/20 0.32
NPC1 O15118 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32

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
SCHEMBL2827812 0.93 SMARCA2 (0.46) GRM5SMARCA2SMARCA4PORCNSORT1
SCHEMBL2833088 0.87 GRM5 (0.56) GRM5SMARCA2SMARCA4PORCNHDAC3
SCHEMBL2833093 0.87 GRM5 (0.69) GRM5SMARCA2SMARCA4PORCNHDAC3
SCHEMBL2826248 0.85 SMARCA2 (0.56) GRM5SMARCA2SMARCA4PORCNHDAC3
SCHEMBL2826318 0.85 GRM5 (0.54) GRM5SMARCA2SMARCA4PORCNHDAC3
SCHEMBL2831334 0.85 GRM5 (0.54) GRM5SMARCA2SMARCA4PORCNHDAC3
SCHEMBL2826714 0.85 GRM5 (0.70) GRM5SMARCA2SMARCA4PORCN
SCHEMBL2826716 0.84 GRM5 (0.50) GRM5SMARCA2SMARCA4PORCNHDAC3
SCHEMBL2831342 0.84 GRM5 (0.53) GRM5SMARCA2SMARCA4PORCNNPC1
SCHEMBL2832198 0.84 GRM5 (0.52) GRM5SMARCA2SMARCA4PORCNHDAC3

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