SCHEMBL25944786

SCHEMBL25944786

CCOC(=O)c1c(CN)n(C)c2cc(-c3ccc(Cl)c4ccccc34)ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 8/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PKM P14618 1/20 0.43
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 4/20 0.42
HPGD P15428 2/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PTGES O14684 2/20 0.41
TSHR P16473 1/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39

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
SCHEMBL25944857 0.94 ALOX5 (0.48) ALOX5MEN1KMT2APKMKDM4E
SCHEMBL25944007 0.90 ALOX5 (0.45) ALOX5MEN1KMT2APKMKDM4E
SCHEMBL25944221 0.88 PKM (0.50) ALOX5MEN1KMT2APKMKDM4E
SCHEMBL25949559 0.87 ALOX5 (0.44) ALOX5MEN1KMT2APKMKDM4E
SCHEMBL25939237 0.86 ALOX5 (0.40) ALOX5MEN1KMT2APKMKDM4E
SCHEMBL25945344 0.85 ALOX5 (0.42) ALOX5MEN1KMT2APKMKDM4E
SCHEMBL25945248 0.84 PKM (0.48) ALOX5MEN1KMT2APKMKDM4E
SCHEMBL25945766 0.83 ALOX5 (0.46) ALOX5MEN1KMT2APKMKDM4E
SCHEMBL25949373 0.82 ALOX5 (0.46) ALOX5MEN1KMT2APKMKDM4E
SCHEMBL25942413 0.81 PKM (0.46) ALOX5MEN1KMT2APKMKDM4E

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