SCHEMBL25939465

SCHEMBL25939465

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.40
KDM4E B2RXH2 2/20 0.38
ALOX5 P09917 8/20 0.37
RAD52 P43351 1/20 0.37
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 3/20 0.36
GPR55 Q9Y2T6 1/20 0.36
MEN1 O00255 2/20 0.36
P4HB P07237 1/20 0.36
POLB P06746 1/20 0.34
PABPC1 P11940 1/20 0.34
BDKRB1 P46663 1/20 0.34

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
SCHEMBL25939338 0.92 ALOX5 (0.40) PKMKDM4EALOX5RAD52ALDH1A1
SCHEMBL25939336 0.91 PKM (0.43) PKMKDM4EALOX5RAD52ALDH1A1
SCHEMBL25949474 0.90 ALOX5 (0.42) PKMKDM4EALOX5RAD52ALDH1A1
SCHEMBL25938810 0.89 ALOX5 (0.40) PKMKDM4EALOX5RAD52ALDH1A1
SCHEMBL25948764 0.89 PKM (0.42) PKMKDM4EALOX5RAD52ALDH1A1
SCHEMBL25939466 0.88 ALOX5 (0.40) PKMKDM4EALOX5RAD52ALDH1A1
SCHEMBL25939395 0.88 ALOX5 (0.40) PKMKDM4EALOX5RAD52ALDH1A1
SCHEMBL25944213 0.87 PKM (0.40) PKMKDM4EALOX5RAD52ALDH1A1
SCHEMBL25939233 0.86 KDM4E (0.41) PKMKDM4EALOX5RAD52ALDH1A1
SCHEMBL25939296 0.86 KDM4E (0.41) PKMKDM4EALOX5RAD52ALDH1A1

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