SCHEMBL25944601

SCHEMBL25944601

CCOC(=O)c1c(CN)n(C)c2cc(-c3cc(C)cc4c(C)cccc34)ccc12

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 8/20 0.44
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 4/20 0.44
ALOX15 P16050 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PKM P14618 1/20 0.41
TSHR P16473 1/20 0.39
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 2/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 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
SCHEMBL25944007 0.87 ALOX5 (0.45) ALOX5KDM4EALDH1A1ALOX15MEN1
SCHEMBL25949559 0.84 ALOX5 (0.44) ALOX5KDM4EALDH1A1MEN1KMT2A
SCHEMBL25945248 0.83 PKM (0.48) ALOX5KDM4EALDH1A1MEN1KMT2A
SCHEMBL25944857 0.83 ALOX5 (0.48) ALOX5KDM4EALDH1A1MEN1KMT2A
SCHEMBL25944494 0.82 KDM4E (0.46) ALOX5KDM4EALDH1A1ALOX15MEN1
SCHEMBL25945511 0.82 PKM (0.46) ALOX5KDM4EALDH1A1MEN1KMT2A
SCHEMBL25944221 0.81 PKM (0.50) ALOX5KDM4EALDH1A1MEN1KMT2A
SCHEMBL25944786 0.81 ALOX5 (0.43) ALOX5KDM4EALDH1A1MEN1KMT2A
SCHEMBL25945344 0.81 ALOX5 (0.42) ALOX5KDM4EALDH1A1MEN1KMT2A
SCHEMBL25942413 0.79 PKM (0.46) ALOX5KDM4EALDH1A1ALOX15MEN1

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