SCHEMBL8108723

SCHEMBL8108723

Cn1c(-c2ccc(C(C)(C)C)cc2)c(C(=O)O)c(=O)n1-c1ccc(C#N)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.47
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.40
FPR2 P25090 1/20 0.40
GRIA4 P48058 9/20 0.39
GRIA2 P42262 7/20 0.39
EPHX2 P34913 1/20 0.39
CCR9 P51686 1/20 0.38
RARB P10826 1/20 0.37
RARG P13631 1/20 0.37
KDM1A O60341 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
CACNA1H O95180 1/20 0.35

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
SCHEMBL8108688 0.90 KIF11 (0.46) KIF11MEN1KMT2AMAPTFPR2
SCHEMBL8108274 0.85 KIF11 (0.41) KIF11MEN1KMT2AMAPTFPR2
SCHEMBL8107895 0.83 KIF11 (0.39) KIF11MEN1KMT2AMAPTFPR2
SCHEMBL8108281 0.80 NR3C2 (0.42) MEN1KMT2AMAPTFPR2MAOA
SCHEMBL8108989 0.77 GPR119 (0.35) KIF11EPHX2CACNA1H
SCHEMBL8108988 0.76 KIF11 (0.33) KIF11EPHX2CACNA1H
SCHEMBL8108261 0.76 CYP2C9 (0.34) KIF11MEN1KMT2AMAPTFPR2
SCHEMBL8108259 0.76 KIF11 (0.33) KIF11MEN1KMT2AMAPTFPR2
SCHEMBL8113217 0.73 MAPT (0.45) MEN1KMT2AMAPTFPR2MAOA
SCHEMBL8114850 0.72 HRH2 (0.39) MEN1KMT2AMAPTFPR2MAOA

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