SCHEMBL25948760

SCHEMBL25948760

CCOC(=O)c1c(CNC=N)n(C)c2cc(-c3cccc4cccc(Cl)c34)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.42
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 3/20 0.37
RAD52 P43351 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 2/20 0.36
P4HB P07237 1/20 0.36
CNR2 P34972 1/20 0.36
HPGD P15428 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
BDKRB1 P46663 1/20 0.36
SPR P35270 1/20 0.35
PTGES O14684 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 0.35
PABPC1 P11940 1/20 0.35

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
SCHEMBL25948646 0.91 ALOX5 (0.44) ALOX5KDM4EALDH1A1RAD52MEN1
SCHEMBL25949473 0.90 ALOX5 (0.44) ALOX5KDM4EALDH1A1RAD52MEN1
SCHEMBL25949474 0.87 ALOX5 (0.42) ALOX5KDM4EALDH1A1RAD52MEN1
SCHEMBL25949314 0.86 KDM4E (0.42) ALOX5KDM4EALDH1A1RAD52MEN1
SCHEMBL25945766 0.86 ALOX5 (0.46) ALOX5KDM4EALDH1A1MEN1KMT2A
SCHEMBL25949402 0.85 KDM4E (0.41) ALOX5KDM4EALDH1A1RAD52MEN1
SCHEMBL25948618 0.85 ALOX5 (0.42) ALOX5KDM4EALDH1A1RAD52MEN1
SCHEMBL25945764 0.84 ALOX5 (0.41) ALOX5KDM4EALDH1A1RAD52MEN1
SCHEMBL25948561 0.83 RAD52 (0.43) ALOX5KDM4EALDH1A1RAD52MEN1
SCHEMBL25948837 0.83 PKM (0.42) ALOX5KDM4EALDH1A1RAD52MEN1

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