SCHEMBL25948764

SCHEMBL25948764

CCOC(=O)c1c(CNC)n(C)c2cc(-c3cccc4cccc(F)c34)ccc12

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALOX5 P09917 10/20 0.39
ALDH1A1 P00352 1/20 0.39
RAD52 P43351 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
P4HB P07237 1/20 0.38
MAPT P10636 1/20 0.38
POLB P06746 1/20 0.37
PABPC1 P11940 1/20 0.37
RAB9A P51151 1/20 0.36

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
SCHEMBL25949473 0.89 ALOX5 (0.44) PKMKDM4EALOX5ALDH1A1RAD52
SCHEMBL25939465 0.89 PKM (0.40) PKMKDM4EALOX5ALDH1A1RAD52
SCHEMBL25948781 0.87 ALOX5 (0.43) PKMKDM4EALOX5ALDH1A1RAD52
SCHEMBL25938805 0.87 ALOX5 (0.43) PKMKDM4EALOX5ALDH1A1RAD52
SCHEMBL25948775 0.86 ALOX5 (0.42) PKMKDM4EALOX5ALDH1A1RAD52
SCHEMBL25948669 0.84 KDM4E (0.44) PKMKDM4EALOX5ALDH1A1RAD52
SCHEMBL25948732 0.84 ALOX5 (0.45) KDM4EALOX5ALDH1A1RAD52MEN1
SCHEMBL25948533 0.83 METAP2 (0.43) KDM4EALOX5ALDH1A1RAD52MEN1
SCHEMBL25949373 0.82 ALOX5 (0.46) PKMKDM4EALOX5ALDH1A1RAD52
SCHEMBL25939083 0.82 RAD52 (0.45) KDM4EALOX5ALDH1A1RAD52MEN1

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