SCHEMBL369856

SCHEMBL369856

Cc1cccc(Nc2nc(-c3cn[nH]c3)c(Cl)s2)n1.Cc1cccc(Nc2nc(-c3cn[nH]c3)cs2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 5/20 0.55
KCNH2 Q12809 1/20 0.55
NPC1 O15118 11/20 0.55
RAB9A P51151 11/20 0.55
MEN1 O00255 10/20 0.55
KMT2A Q03164 10/20 0.55
ATM Q13315 2/20 0.55
POLB P06746 3/20 0.50
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
MAPT P10636 4/20 0.47
NFKB1 P19838 4/20 0.47
NFKB2 Q00653 4/20 0.47
RELA Q04206 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 2/20 0.47
TP53 P04637 2/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL370788 0.91 GRM4 (0.57) GRM4KCNH2NPC1RAB9AMEN1
SCHEMBL365863 0.89 NPC1 (0.68) GRM4KCNH2NPC1RAB9AMEN1
SCHEMBL368073 0.80 GRM4 (0.68) GRM4KCNH2NPC1RAB9AMEN1
SCHEMBL369427 0.80 GRM4 (0.72) GRM4KCNH2NPC1RAB9AMEN1
SCHEMBL370159 0.78 GRM4 (0.52) GRM4KCNH2NPC1RAB9AMEN1
SCHEMBL370597 0.78 GRM4 (0.57) GRM4KCNH2NPC1RAB9AMEN1
SCHEMBL367354 0.75 GRM4 (0.68) GRM4KCNH2NPC1RAB9AMEN1
SCHEMBL366756 0.74 GRM4 (0.74) GRM4KCNH2NPC1RAB9AMEN1
SCHEMBL12482364 0.74 GRM4 (0.53) GRM4KCNH2NPC1RAB9AMEN1
SCHEMBL370659 0.74 GRM4 (0.51) GRM4KCNH2NPC1RAB9AMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2595986-A2 NOVEL 2-AMINO-4-PYRAZOLYL-THIAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharma SA (CH) 2013-05-29 EP claimed
WO-2012009009-A2 NOVEL 2-AMINO-4-PYRAZOLYL-THIAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA S.A. (CH) 2012-01-19 WO claimed