SCHEMBL25939237

SCHEMBL25939237

CCOC(=O)c1c(CNC(=N)N)n(C)c2cc(-c3ccc(Cl)c4ccccc34)ccc12

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.40
KMT2A Q03164 3/20 0.39
PKM P14618 2/20 0.39
MEN1 O00255 2/20 0.39
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 2/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RAD52 P43351 1/20 0.38
MAPT P10636 2/20 0.38
GPR55 Q9Y2T6 1/20 0.38
PTGES O14684 2/20 0.37
P4HB P07237 1/20 0.37
SPR P35270 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
SCHEMBL25939293 0.95 ALOX5 (0.43) ALOX5KMT2APKMMEN1KDM4E
SCHEMBL25939087 0.91 ALOX5 (0.40) ALOX5KMT2APKMMEN1KDM4E
SCHEMBL25939175 0.90 PKM (0.45) ALOX5KMT2APKMMEN1KDM4E
SCHEMBL25938810 0.89 ALOX5 (0.40) ALOX5KMT2APKMMEN1KDM4E
SCHEMBL25939235 0.88 ALOX5 (0.42) ALOX5KMT2APKMMEN1KDM4E
SCHEMBL25939337 0.87 ALOX5 (0.39) ALOX5KMT2APKMMEN1KDM4E
SCHEMBL25944785 0.86 PRMT5 (0.41) ALOX5KMT2APKMMEN1KDM4E
SCHEMBL25938616 0.86 KDM4E (0.44) ALOX5KMT2APKMMEN1KDM4E
SCHEMBL25944786 0.86 ALOX5 (0.43) ALOX5KMT2APKMMEN1KDM4E
SCHEMBL25939336 0.86 PKM (0.43) ALOX5KMT2APKMMEN1KDM4E

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