SCHEMBL8108261

SCHEMBL8108261

CCOC(=O)COCCN(C)C(=O)c1c(-c2ccc(C(C)(C)C)cc2)n(C)n(-c2ccc(C#N)cc2)c1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ELANE P08246 2/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
MMP2 P08253 1/20 0.33
KIF11 P52732 1/20 0.33
HRH2 P25021 1/20 0.32
HRH1 P35367 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
MAPT P10636 3/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31
EPHX2 P34913 1/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
FPR2 P25090 1/20 0.30
SLC34A1 Q06495 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
SCHEMBL8108989 0.91 GPR119 (0.35) MMP2KIF11EGLN1EPHX2
SCHEMBL8107895 0.85 KIF11 (0.39) ELANEMMP2KIF11EGLN1MAPT
SCHEMBL8108259 0.82 KIF11 (0.33) CYP2C9CYP2C19KIF11HRH2HRH1
SCHEMBL8108274 0.82 KIF11 (0.41) CYP2C9CYP2C19ELANEKDM4EALDH1A1
SCHEMBL8108988 0.78 KIF11 (0.33) KIF11EPHX2
SCHEMBL8107901 0.78 ITGB3 (0.38) ELANEHRH2HRH1HRH3MEN1
SCHEMBL8108723 0.76 KIF11 (0.47) KIF11MAPTEPHX2MEN1KMT2A
SCHEMBL8108688 0.75 KIF11 (0.46) ELANEKDM4EALDH1A1KIF11MAPT
SCHEMBL8114850 0.71 HRH2 (0.39) KDM4EALDH1A1HPGDHRH2HRH1
SCHEMBL8113306 0.71 ALDH1A1 (0.42) KDM4EALDH1A1HPGDHRH2HRH1

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