SCHEMBL25939296

SCHEMBL25939296

CCOC(=O)c1c(CNC(=N)N)n(C)c2cc(-c3cccc4ccc(C)cc34)ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 2/20 0.41
RAD52 P43351 1/20 0.38
KMT2A Q03164 3/20 0.37
MAPT P10636 3/20 0.37
PKM P14618 2/20 0.37
GPR55 Q9Y2T6 1/20 0.37
ELANE P08246 1/20 0.37
ALOX5 P09917 7/20 0.37
MEN1 O00255 2/20 0.37
P4HB P07237 1/20 0.37
CNR2 P34972 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALOX15 P16050 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
SCHEMBL25939233 0.95 KDM4E (0.41) KDM4EALDH1A1RAD52KMT2AMAPT
SCHEMBL25938810 0.92 ALOX5 (0.40) KDM4EALDH1A1RAD52KMT2AMAPT
SCHEMBL25939395 0.92 ALOX5 (0.40) KDM4EALDH1A1RAD52KMT2AMAPT
SCHEMBL25945921 0.92 ALOX5 (0.42) KDM4EALDH1A1RAD52KMT2AMAPT
SCHEMBL25948669 0.89 KDM4E (0.44) KDM4EALDH1A1RAD52KMT2AMAPT
SCHEMBL25939235 0.89 ALOX5 (0.42) KDM4EALDH1A1RAD52KMT2AMAPT
SCHEMBL25939394 0.88 ALOX5 (0.42) KDM4EALDH1A1RAD52KMT2AMAPT
SCHEMBL25939466 0.88 ALOX5 (0.40) KDM4EALDH1A1RAD52KMT2AMAPT
SCHEMBL25949402 0.88 KDM4E (0.41) KDM4EALDH1A1RAD52KMT2AMAPT
SCHEMBL25939338 0.88 ALOX5 (0.40) KDM4EALDH1A1RAD52KMT2AMAPT

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