SCHEMBL9665398

SCHEMBL9665398

COc1ccc(-c2nc(CN(C)C(=O)c3ccccc3)sc2-c2cccnc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.48
CLK1 P49759 1/20 0.48
HSD17B10 Q99714 2/20 0.47
NPC1 O15118 1/20 0.47
TP53 P04637 1/20 0.47
RAB9A P51151 1/20 0.47
HSD17B2 P37059 2/20 0.45
PPARD Q03181 4/20 0.45
MAPT P10636 3/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 2/20 0.44
S1PR1 P21453 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PDK1 Q15118 1/20 0.43
KLKB1 P03952 1/20 0.42
KLK1 P06870 1/20 0.42

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
SCHEMBL9665771 0.78 PPARD (0.49) MAPK14PPARDMAPTMEN1ALDH1A1
SCHEMBL7621279 0.78 MAPK14 (0.51) MAPK14NPC1RAB9APPARDMAPT
SCHEMBL9666206 0.77 CYP19A1 (0.49) NPC1RAB9APPARDMAPTMEN1
SCHEMBL9664443 0.76 MEN1 (0.46) MAPK14HSD17B10NPC1TP53RAB9A
SCHEMBL9666106 0.75 MAPT (0.46) MAPK14PPARDMAPTMEN1ALDH1A1
SCHEMBL9665564 0.75 CYP19A1 (0.47) NPC1RAB9APPARDMAPTALDH1A1
SCHEMBL9663895 0.74 CYP19A1 (0.45) NPC1RAB9APPARDMAPTALDH1A1
SCHEMBL9666309 0.74 ALOX5 (0.58) NPC1RAB9AMAPTMEN1ALDH1A1
SCHEMBL9664437 0.74 MAPT (0.43) HSD17B10PPARDMAPTMEN1ALDH1A1
SCHEMBL9665388 0.74 HCRTR1 (0.49) MAPK14HSD17B10NPC1TP53RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0149884-B1 5-PYRIDYL-1,3-THIAZOLE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1992-12-16 EP disclosed
US-4612321-A 5-pyridyl-1,3-thiazole derivatives TAKEDA CHEMICAL INDUSTRIES, INC. (JP) 1986-09-16 US disclosed
EP-0149884-A2 5-Pyridyl-1,3-thiazole derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1985-07-31 EP disclosed