SCHEMBL25948618

SCHEMBL25948618

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

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 9/20 0.42
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
RAD52 P43351 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PKM P14618 1/20 0.39
P4HB P07237 1/20 0.39
MAPT P10636 1/20 0.39
PTGES O14684 1/20 0.37
ALOX15 P16050 1/20 0.36
ELANE P08246 1/20 0.36
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
SCHEMBL25949213 0.94 ALOX5 (0.41) ALOX5KDM4EALDH1A1RAD52MEN1
SCHEMBL25948646 0.91 ALOX5 (0.44) ALOX5KDM4EALDH1A1RAD52MEN1
SCHEMBL25949115 0.89 RAD52 (0.41) ALOX5KDM4EALDH1A1RAD52MEN1
SCHEMBL25949314 0.88 KDM4E (0.42) ALOX5KDM4EALDH1A1RAD52MEN1
SCHEMBL25949402 0.88 KDM4E (0.41) ALOX5KDM4EALDH1A1RAD52MEN1
SCHEMBL25949271 0.87 PKM (0.46) ALOX5KDM4EALDH1A1RAD52MEN1
SCHEMBL25939235 0.86 ALOX5 (0.42) ALOX5KDM4EALDH1A1RAD52MEN1
SCHEMBL25949404 0.85 KDM4E (0.45) ALOX5KDM4EALDH1A1RAD52MEN1
SCHEMBL25948561 0.85 RAD52 (0.43) ALOX5KDM4EALDH1A1RAD52MEN1
SCHEMBL25951179 0.84 ALOX5 (0.46) 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