SCHEMBL25944267

SCHEMBL25944267

CCOC(=O)c1c(CNC)n(C)c2cc(-c3cccc4ccncc34)ccc12

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.45
ELANE P08246 2/20 0.41
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TNF P01375 3/20 0.38
ALOX5 P09917 4/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
P4HB P07237 1/20 0.37
MAPT P10636 1/20 0.37
DGAT2 Q96PD7 1/20 0.37
MMP13 P45452 1/20 0.36
CACNA1C Q13936 1/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 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
SCHEMBL25939083 0.93 RAD52 (0.45) RAD52ELANEKDM4EALDH1A1ALOX5
SCHEMBL25948561 0.90 RAD52 (0.43) RAD52ELANEPRMT5WDR77KDM4E
SCHEMBL25939177 0.90 RAD52 (0.43) RAD52ELANEPRMT5WDR77KDM4E
SCHEMBL25944271 0.89 PRMT5 (0.43) RAD52ELANEPRMT5WDR77KDM4E
SCHEMBL25938805 0.89 ALOX5 (0.43) RAD52KDM4EALDH1A1ALOX5MEN1
SCHEMBL25944270 0.88 RAD52 (0.41) RAD52ELANEKDM4EALDH1A1ALOX5
SCHEMBL25948669 0.86 KDM4E (0.44) RAD52ELANEKDM4EALDH1A1ALOX5
SCHEMBL25944053 0.86 RAD52 (0.43) RAD52ELANEKDM4EALDH1A1ALOX5
SCHEMBL25948533 0.85 METAP2 (0.43) RAD52ELANEKDM4EALDH1A1ALOX5
SCHEMBL25948775 0.85 ALOX5 (0.42) RAD52ELANEKDM4EALDH1A1ALOX5

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