SCHEMBL369556

SCHEMBL369556

COc1ccccc1-c1n[nH]cc1-c1csc(Nc2nccc(C)n2)n1.Cc1cccc(-c2n[nH]cc2-c2csc(Nc3nccc(C)n3)n2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.45
NPC1 O15118 9/20 0.45
MEN1 O00255 10/20 0.43
KMT2A Q03164 10/20 0.43
ATM Q13315 1/20 0.43
MAPT P10636 5/20 0.42
ALDH1A1 P00352 4/20 0.42
TDP1 Q9NUW8 2/20 0.42
VCP P55072 1/20 0.42
SENP8 Q96LD8 2/20 0.41
SENP7 Q9BQF6 2/20 0.41
SENP6 Q9GZR1 2/20 0.41
CASP3 P42574 1/20 0.41
PTGS2 P35354 1/20 0.40
HPGDS O60760 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
GAA P10253 2/20 0.39
KDM1A O60341 1/20 0.38
SREBF2 Q12772 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL15166591 0.93 VCP (0.47) RAB9ANPC1MEN1KMT2AATM
SCHEMBL15166813 0.92 MEN1 (0.50) RAB9ANPC1MEN1KMT2AATM
SCHEMBL370036 0.84 RAB9A (0.52) RAB9ANPC1MEN1KMT2AATM
SCHEMBL12482594 0.84 NPC1 (0.46) RAB9ANPC1MEN1KMT2AATM
SCHEMBL369836 0.84 MEN1 (0.41) RAB9ANPC1MEN1KMT2AATM
SCHEMBL15166710 0.84 MAPT (0.45) RAB9ANPC1MEN1KMT2AATM
SCHEMBL369982 0.83 KMT2A (0.49) RAB9ANPC1MEN1KMT2AATM
SCHEMBL12482779 0.82 NPC1 (0.44) RAB9ANPC1MEN1KMT2AATM
SCHEMBL12482371 0.82 CYP1A2 (0.44) RAB9ANPC1MEN1KMT2AATM
SCHEMBL12482631 0.81 VCP (0.43) RAB9ANPC1MEN1KMT2AATM

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 4 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
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 disclosed
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 disclosed