SCHEMBL1114168

SCHEMBL1114168

N#Cc1ccc(N2CCN(Cc3cc(Cl)ccc3-c3ccccc3)CC2)cc1N

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.46
ALDH1A1 P00352 3/20 0.43
GAA P10253 2/20 0.43
KDM4E B2RXH2 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
DRD4 P21917 5/20 0.43
DRD2 P14416 4/20 0.42
DRD3 P35462 4/20 0.42
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
HRH2 P25021 1/20 0.42
HRH1 P35367 1/20 0.42
LMNA P02545 2/20 0.41
ADORA1 P30542 2/20 0.41

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
SCHEMBL1677378 0.89 HTR7 (0.50) HTR7ALDH1A1GAAKDM4EKMT2A
SCHEMBL12806160 0.74 BCL2 (0.50) HTR7ALDH1A1GAAKDM4EKMT2A
SCHEMBL1113661 0.73 HTR7 (0.46) HTR7ALDH1A1GAAKDM4EKMT2A
SCHEMBL10058377 0.73 BCL2 (0.51) HTR7ALDH1A1GAAKDM4EMAPT
SCHEMBL15938164 0.72 HTR7 (0.81) HTR7ALDH1A1GAAKDM4EKMT2A
SCHEMBL11212077 0.72 MEN1 (0.52) HTR7ALDH1A1KDM4EKMT2AMEN1
SCHEMBL15938285 0.72 HTR7 (0.74) HTR7ALDH1A1GAAKDM4EKMT2A
SCHEMBL376898 0.70 HTR7 (0.60) HTR7ALDH1A1GAAKDM4EKMT2A
SCHEMBL4296188 0.70 S100B (0.56) ALDH1A1GAAKDM4EKMT2AMAPT
SCHEMBL20291669 0.69 KDM4E (0.51) ALDH1A1GAAKDM4EKMT2AMAPT

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-2279174-A2 ARYLSULFONAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE Genentech, Inc. (US) 2011-02-02 EP disclosed
WO-2009143246-A2 ARYLSULFONAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2009-11-26 WO disclosed