SCHEMBL25949474

SCHEMBL25949474

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.42
RAD52 P43351 1/20 0.37
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 3/20 0.36
PTGES O14684 1/20 0.36
MAPT P10636 3/20 0.36
KMT2A Q03164 3/20 0.36
PKM P14618 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
MEN1 O00255 2/20 0.36
P4HB P07237 1/20 0.36
CNR2 P34972 1/20 0.35
BDKRB1 P46663 1/20 0.35
HPGD P15428 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SPR P35270 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL25939338 0.92 ALOX5 (0.40) ALOX5RAD52KDM4EALDH1A1MAPT
SCHEMBL25939293 0.91 ALOX5 (0.43) ALOX5RAD52KDM4EALDH1A1PTGES
SCHEMBL25939465 0.90 PKM (0.40) ALOX5RAD52KDM4EALDH1A1MAPT
SCHEMBL25949473 0.89 ALOX5 (0.44) ALOX5RAD52KDM4EALDH1A1PTGES
SCHEMBL25938810 0.89 ALOX5 (0.40) ALOX5RAD52KDM4EALDH1A1MAPT
SCHEMBL25945921 0.88 ALOX5 (0.42) ALOX5RAD52KDM4EALDH1A1PTGES
SCHEMBL25939394 0.88 ALOX5 (0.42) ALOX5RAD52KDM4EALDH1A1PTGES
SCHEMBL25948760 0.87 ALOX5 (0.42) ALOX5RAD52KDM4EALDH1A1PTGES
SCHEMBL25945766 0.87 ALOX5 (0.46) ALOX5KDM4EALDH1A1PTGESMAPT
SCHEMBL25939296 0.86 KDM4E (0.41) ALOX5RAD52KDM4EALDH1A1MAPT

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