SCHEMBL5598341

SCHEMBL5598341

N#CC(c1ccccc1C(N)=O)C1CCCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SLC6A3 Q01959 2/20 0.40
RPS6KB1 P23443 1/20 0.38
NPC1 O15118 3/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
DPP8 Q6V1X1 2/20 0.38
JAK1 P23458 3/20 0.37
JAK2 O60674 2/20 0.37
DPP4 P27487 1/20 0.37
DPP9 Q86TI2 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
HTT P42858 2/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
PARP1 P09874 2/20 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
SCHEMBL5598468 0.79 TP53 (0.48) TP53MEN1KMT2ARPS6KB1NPC1
SCHEMBL5598237 0.79 TP53 (0.48) TP53MEN1KMT2ARPS6KB1NPC1
SCHEMBL6171265 0.79 TP53 (0.48) TP53MEN1KMT2ARPS6KB1NPC1
SCHEMBL6072932 0.77 TP53 (0.46) TP53MEN1KMT2ARPS6KB1NPC1
SCHEMBL6170527 0.74 TP53 (0.42) TP53MEN1KMT2ARPS6KB1NPC1
SCHEMBL5598180 0.71 HTR1E (0.42) TP53MEN1KMT2ARPS6KB1NPC1
SCHEMBL28110193 0.70 KDM4E (0.39) TP53NPC1RAB9AKDM4EALDH1A1
SCHEMBL28037679 0.70 IRAK4 (0.39) TP53MEN1KMT2ANPC1HTT
SCHEMBL959762 0.70 SLC6A3 (0.58) MEN1KMT2ASLC6A3LMNA
SCHEMBL13124077 0.70 SLC6A3 (0.58) MEN1KMT2ASLC6A3LMNA

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-1763353-A1 COMBINATION THERAPIES UTILIZING BENZAMIDE INHIBITORS OF THE P2X<sb>7</sb> RECEPTOR Warner-Lambert Company LLC (US) 2007-03-21 EP disclosed
WO-2006003517-A1 COMBINATION THERAPIES UTILIZING BENZAMIDE INHIBITORS OF THE P2X7 RECEPTOR WARNER-LAMBERT COMPANY LLC (US) 2006-01-12 WO disclosed