SCHEMBL25939293

SCHEMBL25939293

CCOC(=O)c1c(CNC(=N)N)n(C)c2cc(-c3cccc4c(Cl)cccc34)ccc12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.43
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 3/20 0.38
RAD52 P43351 1/20 0.38
MAPT P10636 3/20 0.38
PKM P14618 2/20 0.38
KMT2A Q03164 2/20 0.38
GPR55 Q9Y2T6 1/20 0.38
MEN1 O00255 1/20 0.37
P4HB P07237 1/20 0.37
HPGD P15428 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SPR P35270 1/20 0.36
BDKRB1 P46663 1/20 0.36
PTGES O14684 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL25939237 0.95 ALOX5 (0.40) ALOX5KDM4EALDH1A1RAD52MAPT
SCHEMBL25939235 0.91 ALOX5 (0.42) ALOX5KDM4EALDH1A1RAD52MAPT
SCHEMBL25938810 0.91 ALOX5 (0.40) ALOX5KDM4EALDH1A1RAD52MAPT
SCHEMBL25949474 0.91 ALOX5 (0.42) ALOX5KDM4EALDH1A1RAD52MAPT
SCHEMBL25939336 0.90 PKM (0.43) ALOX5KDM4EALDH1A1RAD52MAPT
SCHEMBL25945921 0.89 ALOX5 (0.42) ALOX5KDM4EALDH1A1RAD52MAPT
SCHEMBL25939394 0.89 ALOX5 (0.42) ALOX5KDM4EALDH1A1RAD52MAPT
SCHEMBL25949373 0.88 ALOX5 (0.46) ALOX5KDM4EALDH1A1RAD52MAPT
SCHEMBL25939087 0.88 ALOX5 (0.40) ALOX5KDM4EALDH1A1RAD52MAPT
SCHEMBL25948646 0.87 ALOX5 (0.44) ALOX5KDM4EALDH1A1RAD52MAPT

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