SCHEMBL16675742

SCHEMBL16675742

CN(C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
MAPT P10636 2/20 0.51
KMT2A Q03164 2/20 0.51
KDM4E B2RXH2 1/20 0.51
WDR5 P61964 1/20 0.50
JAK2 O60674 1/20 0.44
HPN P05981 1/20 0.43
HTR7 P34969 1/20 0.43
CCR5 P51681 1/20 0.43
ALDH1A1 P00352 2/20 0.43
THRB P10828 1/20 0.43
BCL2A1 Q16548 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42

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
SCHEMBL3440420 0.92 MAPT (0.54) MEN1MAPTKMT2AKDM4EWDR5
SCHEMBL29833037 0.87 WDR5 (0.43) MEN1MAPTKMT2AKDM4EWDR5
SCHEMBL28253934 0.85 MAPT (0.52) MEN1MAPTKMT2AKDM4EHPN
SCHEMBL25046030 0.83 MAPT (0.53) MEN1MAPTKMT2AWDR5ALDH1A1
SCHEMBL4297250 0.83 MAPT (0.53) MEN1MAPTKMT2AWDR5ALDH1A1
SCHEMBL12005391 0.83 MAPT (0.53) MEN1MAPTKMT2AWDR5ALDH1A1
SCHEMBL16675691 0.82 MAPT (0.55) MEN1MAPTKMT2AKDM4EHPN
SCHEMBL10127786 0.82 MAPT (0.52) MEN1MAPTKMT2AKDM4EHTR7
SCHEMBL328338 0.80 HTR7 (0.50) MEN1MAPTKMT2AKDM4EHTR7
SCHEMBL12367107 0.79 MAPT (0.59) MEN1MAPTKMT2AKDM4EHPN

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-2188251-B1 ARYLSULFONAMIDES WITH ANALGESIC ACTIVITY BOEHRINGER INGELHEIM INT (DE) 2015-04-29 EP disclosed