SCHEMBL25948533

SCHEMBL25948533

CCOC(=O)c1c(CNC)n(C)c2cc(-c3cccc4cccnc34)ccc12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.43
RAD52 P43351 1/20 0.42
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 2/20 0.39
MMP9 P14780 1/20 0.38
ALOX5 P09917 6/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
P4HB P07237 1/20 0.38
MAPT P10636 1/20 0.38
IDO1 P14902 1/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
ELANE P08246 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
SCHEMBL25939089 0.89 METAP2 (0.40) METAP2RAD52KDM4EALDH1A1MMP9
SCHEMBL25938805 0.86 ALOX5 (0.43) RAD52KDM4EALDH1A1ALOX5MEN1
SCHEMBL25939083 0.85 RAD52 (0.45) RAD52KDM4EALDH1A1ALOX5MEN1
SCHEMBL25944267 0.85 RAD52 (0.45) RAD52KDM4EALDH1A1ALOX5MEN1
SCHEMBL25948669 0.84 KDM4E (0.44) RAD52KDM4EALDH1A1ALOX5MEN1
SCHEMBL25948732 0.83 ALOX5 (0.45) RAD52KDM4EALDH1A1ALOX5MEN1
SCHEMBL25948781 0.83 ALOX5 (0.43) RAD52KDM4EALDH1A1ALOX5MEN1
SCHEMBL25948764 0.83 PKM (0.42) RAD52KDM4EALDH1A1ALOX5MEN1
SCHEMBL25949473 0.83 ALOX5 (0.44) RAD52KDM4EALDH1A1ALOX5MEN1
SCHEMBL25949099 0.82 RAD52 (0.43) RAD52KDM4EALDH1A1ALOX5MEN1

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