SCHEMBL2826318

SCHEMBL2826318

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.54
SMARCA2 P51531 3/20 0.43
SMARCA4 P51532 3/20 0.43
PORCN Q9H237 2/20 0.39
SORT1 Q99523 1/20 0.38
NPC1 O15118 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CSF1R P07333 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
KCNH2 Q12809 1/20 0.34
MAPT P10636 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
SCHEMBL2826560 0.93 GRM5 (0.46) GRM5SMARCA2SMARCA4NPC1CASP3
SCHEMBL2833088 0.90 GRM5 (0.56) GRM5SMARCA2SMARCA4PORCNSORT1
SCHEMBL2831334 0.89 GRM5 (0.54) GRM5SMARCA2SMARCA4PORCNSORT1
SCHEMBL2833093 0.88 GRM5 (0.69) GRM5SMARCA2SMARCA4PORCNSORT1
SCHEMBL2831342 0.88 GRM5 (0.53) GRM5SMARCA2SMARCA4PORCNNPC1
SCHEMBL2826248 0.87 SMARCA2 (0.56) GRM5SMARCA2SMARCA4PORCNSORT1
SCHEMBL2832198 0.87 GRM5 (0.52) GRM5SMARCA2SMARCA4PORCNSORT1
SCHEMBL2826714 0.86 GRM5 (0.70) GRM5SMARCA2SMARCA4PORCNMAPT
SCHEMBL2833058 0.86 GRM5 (0.52) GRM5SMARCA2SMARCA4PORCNSORT1
SCHEMBL2829312 0.86 GRM5 (0.52) GRM5SMARCA2SMARCA4PORCNNPC1

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