SCHEMBL25948583

SCHEMBL25948583

CCOC(=O)c1c(CNC=N)n(C)c2cc(-c3c4ccccc4cc4ccccc34)ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PKM P14618 1/20 0.41
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
RAD52 P43351 1/20 0.40
SPR P35270 1/20 0.38
P4HB P07237 1/20 0.37
MAPT P10636 1/20 0.37
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37

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
SCHEMBL25948837 0.89 PKM (0.42) ALOX5MEN1KMT2APKMKDM4E
SCHEMBL25949292 0.89 ALOX5 (0.43) ALOX5MEN1KMT2APKMKDM4E
SCHEMBL25948723 0.88 PKM (0.42) ALOX5MEN1KMT2APKMKDM4E
SCHEMBL25949404 0.88 KDM4E (0.45) ALOX5MEN1KMT2APKMKDM4E
SCHEMBL25939178 0.86 ALOX5 (0.40) ALOX5MEN1KMT2APKMKDM4E
SCHEMBL25949213 0.85 ALOX5 (0.41) ALOX5MEN1KMT2APKMKDM4E
SCHEMBL25949234 0.85 CYP11B1 (0.41) ALOX5MEN1KMT2APKMKDM4E
SCHEMBL25949314 0.85 KDM4E (0.42) ALOX5MEN1KMT2APKMKDM4E
SCHEMBL25949367 0.84 KDM4E (0.53) ALOX5MEN1KMT2AKDM4EALDH1A1
SCHEMBL25948618 0.83 ALOX5 (0.42) ALOX5MEN1KMT2APKMKDM4E

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