SCHEMBL9664443

SCHEMBL9664443

COc1ccc(-c2nc(CNC(=O)OCc3ccccc3)sc2-c2cccnc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 2/20 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
EPHX1 P07099 1/20 0.46
NAMPT P43490 1/20 0.46
PPARD Q03181 4/20 0.46
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
HDAC1 Q13547 3/20 0.45
HDAC3 O15379 2/20 0.45
HDAC4 P56524 2/20 0.45
HDAC7 Q8WUI4 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC10 Q969S8 2/20 0.45
HDAC11 Q96DB2 2/20 0.45
HDAC8 Q9BY41 2/20 0.45

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
SCHEMBL9665388 0.81 HCRTR1 (0.49) MEN1KMT2AKDM4ENPC1TP53
SCHEMBL9665564 0.80 CYP19A1 (0.47) KDM4ENPC1RAB9APPARDALDH1A1
SCHEMBL9664437 0.80 MAPT (0.43) MEN1KMT2AKDM4EHSD17B10PPARD
Hydrochloric Acid SCHEMBL9452000 0.79 LMNA (0.50) MEN1KMT2AKDM4ENPC1TP53
Hydrochloric Acid SCHEMBL9451978 0.78 GAA (0.56) MEN1KMT2AKDM4ENPC1TP53
SCHEMBL9665771 0.77 PPARD (0.49) MEN1KMT2AKDM4EPPARDALDH1A1
SCHEMBL7621279 0.76 MAPK14 (0.51) KDM4ENPC1RAB9APPARDALDH1A1
SCHEMBL9666106 0.76 MAPT (0.46) MEN1KMT2AKDM4EPPARDALDH1A1
SCHEMBL9665398 0.76 MAPK14 (0.48) MEN1KMT2AKDM4ENPC1TP53
SCHEMBL9666206 0.75 CYP19A1 (0.49) MEN1KMT2AKDM4ENPC1RAB9A

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