SCHEMBL8108988

SCHEMBL8108988

COC(CN(C)C(=O)c1c(-c2ccc(C(C)(C)C)cc2)n(C)n(-c2ccc(C#N)cc2)c1=O)C(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
EPHX2 P34913 1/20 0.31
CACNA1H O95180 1/20 0.31
ESR1 P03372 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
SCHEMBL8108259 0.92 KIF11 (0.33) KIF11EPHX2
SCHEMBL8108989 0.82 GPR119 (0.35) KIF11GPR119EPHX2CACNA1H
SCHEMBL8107895 0.81 KIF11 (0.39) KIF11EPHX2CACNA1H
SCHEMBL8108261 0.78 CYP2C9 (0.34) KIF11EPHX2
SCHEMBL8108274 0.77 KIF11 (0.41) KIF11EPHX2
SCHEMBL8108723 0.76 KIF11 (0.47) KIF11EPHX2CACNA1H
SCHEMBL8108688 0.75 KIF11 (0.46) KIF11EPHX2CACNA1H
SCHEMBL8114850 0.66 HRH2 (0.39)
SCHEMBL8113306 0.66 ALDH1A1 (0.42)
SCHEMBL8113217 0.65 MAPT (0.45)

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-0987253-A1 PYRAZOLONE DERIVATIVES NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 2000-03-22 EP disclosed
US-5968967-A INHIBIT PLATELET AGGREGATION NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-19 US disclosed