SCHEMBL9665388

SCHEMBL9665388

COc1ccc(-c2nc(CNC(=O)c3ccccc3C)sc2-c2cccnc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.49
HCRTR2 O43614 2/20 0.49
MAPT P10636 5/20 0.47
GAA P10253 1/20 0.47
KDM4E B2RXH2 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
RAB9A P51151 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PPARD Q03181 5/20 0.46
MAPK14 Q16539 1/20 0.45
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GSK3B P49841 1/20 0.44
MAPK1 P28482 1/20 0.43
HPGD P15428 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
Hydrochloric Acid SCHEMBL9451978 0.82 GAA (0.56) MAPTGAAKDM4EMEN1KMT2A
SCHEMBL9664443 0.81 MEN1 (0.46) MAPTGAAKDM4EMEN1KMT2A
SCHEMBL9665564 0.80 CYP19A1 (0.47) MAPTKDM4ENPC1RAB9APPARD
Hydrochloric Acid SCHEMBL9452000 0.77 LMNA (0.50) MAPTGAAKDM4EMEN1KMT2A
SCHEMBL7621279 0.76 MAPK14 (0.51) MAPTKDM4ENPC1RAB9APPARD
SCHEMBL9666106 0.76 MAPT (0.46) MAPTGAAKDM4EMEN1KMT2A
SCHEMBL9666206 0.75 CYP19A1 (0.49) MAPTKDM4EMEN1KMT2ANPC1
SCHEMBL9665771 0.75 PPARD (0.49) MAPTGAAKDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL9452020 0.74 THRB (0.60) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL9665398 0.74 MAPK14 (0.48) MAPTKDM4EMEN1KMT2ANPC1

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