SCHEMBL25945248

SCHEMBL25945248

CCOC(=O)c1c(CN)n(C)c2cc(-c3cccc4c(F)cccc34)ccc12

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.48
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.42
ALOX5 P09917 11/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.39
LMNA P02545 1/20 0.38
MAPT P10636 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
SCHEMBL25944221 0.94 PKM (0.50) PKMKDM4EALDH1A1ALOX5KMT2A
SCHEMBL25949559 0.89 ALOX5 (0.44) PKMKDM4EALDH1A1ALOX5KMT2A
SCHEMBL25944857 0.88 ALOX5 (0.48) PKMKDM4EALDH1A1ALOX5KMT2A
SCHEMBL25946014 0.87 ALOX5 (0.44) PKMKDM4EALDH1A1ALOX5KMT2A
SCHEMBL25939336 0.86 PKM (0.43) PKMKDM4EALDH1A1ALOX5KMT2A
SCHEMBL25944007 0.86 ALOX5 (0.45) PKMKDM4EALDH1A1ALOX5KMT2A
SCHEMBL25944494 0.85 KDM4E (0.46) PKMKDM4EALDH1A1ALOX5KMT2A
SCHEMBL25945511 0.84 PKM (0.46) PKMKDM4EALDH1A1ALOX5KMT2A
SCHEMBL25944786 0.84 ALOX5 (0.43) PKMKDM4EALDH1A1ALOX5KMT2A
SCHEMBL25944601 0.83 ALOX5 (0.44) PKMKDM4EALDH1A1ALOX5KMT2A

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