SCHEMBL25944221

SCHEMBL25944221

CCOC(=O)c1c(CN)n(C)c2cc(-c3ccc(F)c4ccccc34)ccc12

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.50
ALOX5 P09917 10/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 4/20 0.42
GAA P10253 2/20 0.40
HPGD P15428 2/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 1/20 0.39
PTGES O14684 2/20 0.39

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
SCHEMBL25945248 0.94 PKM (0.48) PKMALOX5MEN1KMT2AKDM4E
SCHEMBL25944007 0.90 ALOX5 (0.45) PKMALOX5MEN1KMT2AKDM4E
SCHEMBL25944786 0.88 ALOX5 (0.43) PKMALOX5MEN1KMT2AKDM4E
SCHEMBL25949559 0.87 ALOX5 (0.44) PKMALOX5MEN1KMT2AKDM4E
SCHEMBL25945511 0.86 PKM (0.46) PKMALOX5MEN1KMT2AKDM4E
SCHEMBL25939175 0.86 PKM (0.45) PKMALOX5MEN1KMT2AKDM4E
SCHEMBL25949271 0.85 PKM (0.46) PKMALOX5MEN1KMT2AKDM4E
SCHEMBL25944857 0.84 ALOX5 (0.48) PKMALOX5MEN1KMT2AKDM4E
SCHEMBL25945344 0.83 ALOX5 (0.42) PKMALOX5MEN1KMT2AKDM4E
SCHEMBL25946014 0.83 ALOX5 (0.44) PKMALOX5MEN1KMT2AKDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4209492-A1 COMPOUND FOR TREATING THROMBOTIC DISEASES Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2023-07-12 EP disclosed