SCHEMBL370580

SCHEMBL370580

CCNc1n[nH]cc1-c1csc(Nc2nccc(C)n2)n1.COCc1n[nH]cc1-c1csc(Nc2nccc(C)n2)n1.Cc1ccnc(Nc2nc(-c3c[nH]nc3CO)cs2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 12/20 0.36
RAB9A P51151 12/20 0.36
MEN1 O00255 10/20 0.36
KMT2A Q03164 10/20 0.36
SMN1; SMN2 Q16637 5/20 0.36
POLB P06746 4/20 0.36
MAPT P10636 4/20 0.36
TYR P14679 3/20 0.36
NFKB1 P19838 3/20 0.36
NFKB2 Q00653 3/20 0.36
RELA Q04206 3/20 0.36
ALDH1A1 P00352 2/20 0.36
ATM Q13315 2/20 0.35
GRM4 Q14833 2/20 0.33
GRM8 O00222 1/20 0.33
MAP3K14 Q99558 1/20 0.33
GAA P10253 3/20 0.33
SENP8 Q96LD8 2/20 0.33
SENP7 Q9BQF6 2/20 0.33
SENP6 Q9GZR1 2/20 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
SCHEMBL370423 0.92 NPC1 (0.41) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL2534001 0.89 MEN1 (0.42) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL370434 0.89 MEN1 (0.42) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL2538671 0.88 NPC1 (0.44) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL370612 0.82 MEN1 (0.41) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL15166609 0.82 MEN1 (0.39) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL370792 0.75 TRPV4 (0.32) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL369508 0.73 RAB9A (0.37) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL370677 0.72 RAB9A (0.37) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL370966 0.71 GRM4 (0.45) NPC1RAB9AMEN1KMT2ASMN1; SMN2

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