SCHEMBL8099495

SCHEMBL8099495

CCOC(=O)c1c(-c2ccc(N3CCN(C)CC3)cc2)n(C)n(-c2ccc(C#N)cc2)c1=O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
ALDH1A1 P00352 2/20 0.45
CHEK1 O14757 1/20 0.44
BTK Q06187 1/20 0.43
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HRH2 P25021 1/20 0.40
HRH1 P35367 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
MTOR P42345 1/20 0.38

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
SCHEMBL8114850 0.87 HRH2 (0.39) MAPTALDH1A1CHEK1BTKKMT2A
SCHEMBL8113306 0.87 ALDH1A1 (0.42) ALDH1A1KMT2AKDM4EMEN1HRH2
SCHEMBL8113217 0.87 MAPT (0.45) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL8108969 0.79 TSHR (0.44) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL15009898 0.71 MAPT (0.69) MAPTALDH1A1KDM4EHRH2HRH1
SCHEMBL8107901 0.71 ITGB3 (0.38) KMT2AMEN1HRH2HRH1HRH3
SCHEMBL151261 0.70 CHEK1 (0.68) MAPTALDH1A1CHEK1KMT2AKDM4E
SCHEMBL8108723 0.70 KIF11 (0.47) MAPTKMT2AMEN1
SCHEMBL5324137 0.69 CYP2C9 (0.62) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL8108259 0.69 KIF11 (0.33) MAPTKMT2AMEN1HRH2HRH1

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