SCHEMBL5185201

SCHEMBL5185201

O=C(O)c1csc(Nc2cncnc2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.53
KDM1A O60341 4/20 0.47
GAA P10253 1/20 0.43
POLB P06746 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
AMY1A P0DUB6 1/20 0.42
MAPT P10636 3/20 0.42
MAPK1 P28482 2/20 0.42
GFER P55789 1/20 0.42
CSNK2A1 P68400 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
DYRK3 O43781 1/20 0.40
CLK1 P49759 1/20 0.40
CLK2 P49760 1/20 0.40
DYRK1A Q13627 1/20 0.40
DYRK2 Q92630 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40

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
SCHEMBL525526 0.82 MAPK1 (0.62) L3MBTL1GAANPC1RAB9AMAPT
SCHEMBL525271 0.81 KDM1A (0.54) L3MBTL1KDM1AGAAPOLBNPC1
SCHEMBL2285389 0.80 AMY1A (0.60) L3MBTL1KDM1AGAAPOLBNPC1
SCHEMBL525812 0.76 KDM1A (0.56) L3MBTL1KDM1AGAAPOLBNPC1
SCHEMBL525682 0.76 KDM1A (0.76) KDM1AGAANPC1RAB9AAMY1A
SCHEMBL11886334 0.76 CSNK2A1 (0.52) L3MBTL1KDM1AGAAPOLBNPC1
SCHEMBL5200233 0.76 MAPT (0.68) L3MBTL1KDM1AGAANPC1RAB9A
SCHEMBL19667960 0.76 L3MBTL1 (0.51) L3MBTL1KDM1AGAAPOLBAMY1A
SCHEMBL4927053 0.76 L3MBTL1 (0.55) L3MBTL1KDM1AGAAPOLBNPC1
SCHEMBL4919827 0.76 KDM1A (0.76) L3MBTL1KDM1AGAANPC1RAB9A

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-1844044-A1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-10-17 EP claimed
WO-2006074884-A1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-07-20 WO claimed