SCHEMBL370792

SCHEMBL370792

CCc1ccnc(Nc2nc(-c3c[nH]nc3COC)cs2)n1.COC(=O)N1CC=C(c2n[nH]cc2-c2csc(Nc3nccc(C)n3)n2)C1

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.32
MEN1 O00255 2/20 0.30
NPC1 O15118 2/20 0.30
POLB P06746 2/20 0.30
RAB9A P51151 2/20 0.30
KMT2A Q03164 2/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
TYR P14679 1/20 0.30
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
GRM8 O00222 1/20 0.30
GRM4 Q14833 1/20 0.30

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
SCHEMBL369284 0.89 TRPV4 (0.38) TRPV4MEN1NPC1POLBRAB9A
SCHEMBL12482588 0.82 TRPV4 (0.39) TRPV4MEN1NPC1POLBRAB9A
SCHEMBL15166609 0.80 MEN1 (0.39) TRPV4MEN1NPC1POLBRAB9A
SCHEMBL2534001 0.79 MEN1 (0.42) TRPV4MEN1NPC1POLBRAB9A
SCHEMBL370423 0.78 NPC1 (0.41) TRPV4MEN1NPC1POLBRAB9A
SCHEMBL12482295 0.76 MEN1 (0.36) TRPV4MEN1NPC1POLBRAB9A
SCHEMBL12482053 0.76 PDE10A (0.39) TRPV4MEN1NPC1POLBRAB9A
SCHEMBL370580 0.75 NPC1 (0.36) TRPV4MEN1NPC1POLBRAB9A
SCHEMBL2538671 0.74 NPC1 (0.44) TRPV4MEN1NPC1POLBRAB9A
SCHEMBL370330 0.72 WNT3A (0.37) MEN1NPC1RAB9AKMT2AALDH1A1

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