SCHEMBL25946014

SCHEMBL25946014

CCOC(=O)c1c(CN)n(C)c2cc(-c3cccc4cc(F)ccc34)ccc12

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 9/20 0.44
KDM4E B2RXH2 3/20 0.42
PKM P14618 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
ELANE P08246 2/20 0.39
PRKCZ Q05513 1/20 0.39
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
TSHR P16473 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
SCHEMBL25945511 0.91 PKM (0.46) ALOX5KDM4EPKMALDH1A1MEN1
SCHEMBL25944494 0.90 KDM4E (0.46) ALOX5KDM4EPKMALDH1A1MEN1
SCHEMBL25949559 0.90 ALOX5 (0.44) ALOX5KDM4EPKMALDH1A1MEN1
SCHEMBL25948781 0.89 ALOX5 (0.43) ALOX5KDM4EPKMALDH1A1MEN1
SCHEMBL25945248 0.87 PKM (0.48) ALOX5KDM4EPKMALDH1A1MEN1
SCHEMBL25939466 0.87 ALOX5 (0.40) ALOX5KDM4EPKMALDH1A1MEN1
SCHEMBL25944857 0.83 ALOX5 (0.48) ALOX5KDM4EPKMALDH1A1MEN1
SCHEMBL25944221 0.83 PKM (0.50) ALOX5KDM4EPKMALDH1A1MEN1
SCHEMBL25945344 0.83 ALOX5 (0.42) ALOX5KDM4EPKMALDH1A1MEN1
SCHEMBL25945766 0.83 ALOX5 (0.46) ALOX5KDM4EPKMALDH1A1MEN1

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