SCHEMBL25944271

SCHEMBL25944271

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
ELANE P08246 2/20 0.42
RAD52 P43351 1/20 0.41
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
ALOX5 P09917 4/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MMP13 P45452 1/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TNF P01375 3/20 0.37
CACNA1C Q13936 1/20 0.37
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL25944267 0.89 RAD52 (0.45) PRMT5WDR77ELANERAD52KDM4E
SCHEMBL25949559 0.89 ALOX5 (0.44) KDM4EALDH1A1ALOX5MEN1KMT2A
SCHEMBL25939177 0.88 RAD52 (0.43) PRMT5WDR77ELANERAD52KDM4E
SCHEMBL25948561 0.86 RAD52 (0.43) PRMT5WDR77ELANERAD52KDM4E
SCHEMBL25944494 0.85 KDM4E (0.46) ELANEKDM4EALDH1A1ALOX5MEN1
SCHEMBL25944270 0.84 RAD52 (0.41) ELANERAD52KDM4EALDH1A1ALOX5
SCHEMBL25944061 0.83 CYP11B1 (0.45) PRMT5WDR77KDM4EALDH1A1ALOX5
SCHEMBL25946014 0.83 ALOX5 (0.44) ELANEKDM4EALDH1A1ALOX5MEN1
SCHEMBL25944857 0.82 ALOX5 (0.48) ELANEKDM4EALDH1A1ALOX5MEN1
SCHEMBL25945248 0.82 PKM (0.48) KDM4EALDH1A1ALOX5MEN1KMT2A

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