SCHEMBL25948503

SCHEMBL25948503

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PKM P14618 1/20 0.43
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 3/20 0.42
RAD52 P43351 1/20 0.42
P4HB P07237 1/20 0.41
MAPT P10636 1/20 0.41
SPR P35270 1/20 0.40
GAA P10253 2/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALOX15 P16050 1/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL25938805 0.89 ALOX5 (0.43) ALOX5MEN1KMT2APKMKDM4E
SCHEMBL25949213 0.89 ALOX5 (0.41) ALOX5MEN1KMT2APKMKDM4E
SCHEMBL25944007 0.88 ALOX5 (0.45) ALOX5MEN1KMT2APKMKDM4E
SCHEMBL25944053 0.88 RAD52 (0.43) ALOX5MEN1KMT2APKMKDM4E
SCHEMBL25939087 0.88 ALOX5 (0.40) ALOX5MEN1KMT2APKMKDM4E
SCHEMBL25944006 0.87 ALOX5 (0.40) ALOX5MEN1KMT2APKMKDM4E
SCHEMBL25949099 0.87 RAD52 (0.43) ALOX5MEN1KMT2APKMKDM4E
SCHEMBL25949373 0.86 ALOX5 (0.46) ALOX5MEN1KMT2APKMKDM4E
SCHEMBL25949382 0.85 KDM4E (0.42) ALOX5MEN1KMT2APKMKDM4E
SCHEMBL25948641 0.83 KDM4E (0.57) ALOX5MEN1KMT2AKDM4EALDH1A1

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