SCHEMBL5164401

SCHEMBL5164401

N#Cc1c(O)c(Cl)c(I)c(O)c1C#N

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
TTR P02766 1/20 0.33
ALB P02768 1/20 0.33

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
SCHEMBL29842862 0.82 MEN1 (0.50) MEN1ALDH1A1MAPTKMT2ATP53
SCHEMBL1573448 0.82 MEN1 (0.50) MEN1ALDH1A1MAPTKMT2ATP53
SCHEMBL3462600 0.77 HPGD (0.47) MEN1ALDH1A1MAPTKMT2ATP53
SCHEMBL11752918 0.77 MEN1 (0.60) MEN1ALDH1A1MAPTKMT2ATP53
SCHEMBL28811328 0.75 MEN1 (0.43) MEN1ALDH1A1MAPTKMT2ATP53
SCHEMBL8886111 0.75 MEN1 (0.65) MEN1ALDH1A1MAPTKMT2ATP53
SCHEMBL23957245 0.74 TTR (0.39) MEN1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL1573573 0.74 MEN1 (0.48) MEN1ALDH1A1MAPTKMT2ATP53
SCHEMBL23957187 0.72 TTR (0.37) MEN1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL23957250 0.72 TTR (0.37) MEN1ALDH1A1MAPTKMT2AKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1758850-A1 PREPARATION AND APPLICATIONS OF POLYMER-SUPPORTED HALOGENATED BENZOQUINONES AS OXIDATIVE AGENTS COULADOUROS, Elias, Andrea (GR) 2007-03-07 EP disclosed
WO-2005121077-A1 PREPARATION AND APPLICATIONS OF POLYMER-SUPPORTED HALOGENATED BENZOQUINONES AS OXIDATIVE AGENTS COULADOUROS ELIAS (GR) 2005-12-22 WO disclosed