SCHEMBL370226

SCHEMBL370226

CC(=O)c1[nH]ncc1-c1csc(Nc2ncccn2)n1.O=C(c1[nH]ncc1-c1csc(Nc2ncccn2)n1)C1CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 13/20 0.44
NPC1 O15118 11/20 0.44
SMN1; SMN2 Q16637 9/20 0.44
MEN1 O00255 9/20 0.44
KMT2A Q03164 9/20 0.44
GRM4 Q14833 3/20 0.44
MAPT P10636 8/20 0.43
ALDH1A1 P00352 6/20 0.43
POLB P06746 3/20 0.43
TYR P14679 2/20 0.43
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
ATM Q13315 1/20 0.42
TRPV4 Q9HBA0 1/20 0.41
LMNA P02545 1/20 0.40
HTT P42858 2/20 0.38
MCL1 Q07820 2/20 0.38
THRB P10828 2/20 0.38

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
SCHEMBL369557 0.95 RAB9A (0.46) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL370858 0.91 NPC1 (0.52) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL369774 0.85 GRM4 (0.46) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL370530 0.80 GRM4 (0.47) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL370972 0.71 GRM4 (0.53) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL369500 0.70 GRM4 (0.46) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL370142 0.68 GRM4 (0.50) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL370790 0.65 MEN1 (0.51) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL371225 0.61 GRM4 (0.72) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL12295950 0.61 MEN1 (1.00) RAB9ANPC1SMN1; SMN2MEN1KMT2A

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 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