SCHEMBL25949271

SCHEMBL25949271

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.46
ALOX5 P09917 8/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 4/20 0.39
RAD52 P43351 1/20 0.39
P4HB P07237 1/20 0.38
MAPT P10636 1/20 0.38
SPR P35270 1/20 0.37
GAA P10253 2/20 0.37
HPGD P15428 2/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL25949213 0.91 ALOX5 (0.41) PKMALOX5MEN1KMT2AKDM4E
SCHEMBL25948723 0.88 PKM (0.42) PKMALOX5MEN1KMT2AKDM4E
SCHEMBL25948618 0.87 ALOX5 (0.42) PKMALOX5MEN1KMT2AKDM4E
SCHEMBL25939175 0.87 PKM (0.45) PKMALOX5MEN1KMT2AKDM4E
SCHEMBL25949404 0.86 KDM4E (0.45) PKMALOX5MEN1KMT2AKDM4E
SCHEMBL25948646 0.86 ALOX5 (0.44) PKMALOX5MEN1KMT2AKDM4E
SCHEMBL25944221 0.85 PKM (0.50) PKMALOX5MEN1KMT2AKDM4E
SCHEMBL25948583 0.84 ALOX5 (0.41) PKMALOX5MEN1KMT2AKDM4E
SCHEMBL25948837 0.83 PKM (0.42) PKMALOX5MEN1KMT2AKDM4E
SCHEMBL25949367 0.82 KDM4E (0.53) ALOX5MEN1KMT2AKDM4EALDH1A1

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