SCHEMBL25945247

SCHEMBL25945247

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.42
KDM4E B2RXH2 2/20 0.40
GRM2 Q14416 1/20 0.39
ALOX5 P09917 6/20 0.37
BDKRB1 P46663 3/20 0.37
RAD52 P43351 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
P4HB P07237 1/20 0.36
MAPT P10636 1/20 0.36
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
AKT1 P31749 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
SCHEMBL25944600 0.91 ALOX5 (0.41) PKMKDM4EGRM2ALOX5RAD52
SCHEMBL25944855 0.90 PRMT5 (0.42) PKMKDM4EALOX5BDKRB1RAD52
SCHEMBL25944006 0.89 ALOX5 (0.40) PKMKDM4EGRM2ALOX5RAD52
SCHEMBL25945695 0.89 GRM2 (0.40) PKMKDM4EGRM2ALOX5RAD52
SCHEMBL25944493 0.87 KDM4E (0.40) PKMKDM4EGRM2ALOX5RAD52
SCHEMBL25944785 0.86 PRMT5 (0.41) PKMKDM4EALOX5RAD52ALDH1A1
SCHEMBL25939336 0.86 PKM (0.43) PKMKDM4EALOX5BDKRB1RAD52
SCHEMBL25945611 0.86 ALOX5 (0.41) KDM4EALOX5RAD52ALDH1A1MEN1
SCHEMBL25945920 0.85 ALOX5 (0.41) KDM4EALOX5RAD52ALDH1A1MEN1
SCHEMBL25943587 0.85 AAK1 (0.40) PKMKDM4EGRM2ALOX5RAD52

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