SCHEMBL8107895

SCHEMBL8107895

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.39
EPHX2 P34913 1/20 0.35
ELANE P08246 1/20 0.34
EGLN1 Q9GZT9 3/20 0.34
NR3C2 P08235 1/20 0.33
KCNH2 Q12809 1/20 0.33
CACNA1H O95180 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
FPR2 P25090 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM1A O60341 2/20 0.32
MMP2 P08253 1/20 0.32
ESRRG P62508 1/20 0.31
PDE10A Q9Y233 1/20 0.31
SLC9A5 Q14940 1/20 0.31
CCR9 P51686 1/20 0.31
GRIA2 P42262 1/20 0.31
GRIA4 P48058 1/20 0.31
MAOA P21397 1/20 0.31

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 0.85 GPR119 (0.35) KIF11EPHX2EGLN1NR3C2KCNH2
SCHEMBL8108261 0.85 CYP2C9 (0.34) KIF11EPHX2ELANEEGLN1MEN1
SCHEMBL8108723 0.83 KIF11 (0.47) KIF11EPHX2CACNA1HMEN1MAPT
SCHEMBL8108688 0.82 KIF11 (0.46) KIF11EPHX2ELANECACNA1HMEN1
SCHEMBL8108259 0.81 KIF11 (0.33) KIF11EPHX2MEN1MAPTFPR2
SCHEMBL8108988 0.81 KIF11 (0.33) KIF11EPHX2CACNA1H
SCHEMBL8108274 0.80 KIF11 (0.41) KIF11EPHX2ELANEMEN1MAPT
SCHEMBL8114850 0.67 HRH2 (0.39) MEN1MAPTFPR2KMT2AMAOA
SCHEMBL8113306 0.67 ALDH1A1 (0.42) MEN1KMT2A
SCHEMBL8113217 0.67 MAPT (0.45) ELANEMEN1MAPTFPR2KMT2A

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