SCHEMBL25949402

SCHEMBL25949402

CCOC(=O)c1c(CNC=N)n(C)c2cc(-c3cccc4ccc(C)cc34)ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 2/20 0.41
RAD52 P43351 1/20 0.38
ELANE P08246 1/20 0.37
ALOX5 P09917 7/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 2/20 0.37
P4HB P07237 1/20 0.37
CNR2 P34972 2/20 0.36
PKM P14618 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALOX15 P16050 1/20 0.35
SPR P35270 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
SCHEMBL25949314 0.94 KDM4E (0.42) KDM4EALDH1A1RAD52ELANEALOX5
SCHEMBL25948669 0.89 KDM4E (0.44) KDM4EALDH1A1RAD52ELANEALOX5
SCHEMBL25939296 0.88 KDM4E (0.41) KDM4EALDH1A1RAD52ELANEALOX5
SCHEMBL25948618 0.88 ALOX5 (0.42) KDM4EALDH1A1RAD52ELANEALOX5
SCHEMBL25948561 0.87 RAD52 (0.43) KDM4EALDH1A1RAD52ELANEALOX5
SCHEMBL25948646 0.86 ALOX5 (0.44) KDM4EALDH1A1RAD52ELANEALOX5
SCHEMBL25948837 0.86 PKM (0.42) KDM4EALDH1A1RAD52ALOX5MEN1
SCHEMBL25948760 0.85 ALOX5 (0.42) KDM4EALDH1A1RAD52ALOX5MEN1
SCHEMBL25951179 0.85 ALOX5 (0.46) KDM4EALDH1A1RAD52ALOX5MEN1
SCHEMBL25949213 0.84 ALOX5 (0.41) KDM4EALDH1A1RAD52ELANEALOX5

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