SCHEMBL2995322

SCHEMBL2995322

Nc1ccc(NCc2ccc(NCCO)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
POLB P06746 2/20 0.44
GAA P10253 2/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
ALOX15 P16050 2/20 0.44
MAPK1 P28482 2/20 0.44
CASP1 P29466 2/20 0.44
BLM P54132 2/20 0.44
KMT2A Q03164 2/20 0.44
HSD17B10 Q99714 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
AGER Q15109 1/20 0.44
KDM4E B2RXH2 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
THRB P10828 1/20 0.44
PLEC Q15149 1/20 0.44
APAF1 O14727 1/20 0.44

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
SCHEMBL33766 0.88 APP (0.48) MEN1ALDH1A1POLBMAPTKMT2A
Hydrochloric Acid SCHEMBL21056194 0.86 APP (0.47) MEN1ALDH1A1POLBMAPTMAPK1
Hydrochloric Acid SCHEMBL8420321 0.86 APP (0.47) MEN1ALDH1A1POLBMAPTMAPK1
SCHEMBL3422016 0.86 MEN1 (0.50) MEN1ALDH1A1POLBGAAMAPT
SCHEMBL5154356 0.86 MEN1 (0.50) MEN1ALDH1A1POLBGAAMAPT
SCHEMBL455536 0.86 MEN1 (0.50) MEN1ALDH1A1POLBGAAMAPT
Ethane SCHEMBL27531493 0.84 APP (0.46) ALDH1A1GAAMAPTL3MBTL1ALOX12
Hydrochloric Acid SCHEMBL4949253 0.84 MAOA (0.48) MEN1ALDH1A1POLBGAAMAPT
Hydrochloric Acid SCHEMBL2985269 0.84 MAOA (0.48) MEN1ALDH1A1POLBGAAMAPT
SCHEMBL2976642 0.84 FCGR3B (0.46) MEN1ALDH1A1GAAMAPTBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE41549-E1 Dyes for keratin fibers, the dyes containing n-benzyl-p-phenylenediamine derivatives and novel n-benzyl-p-phenylenediamine derivatives WELLA AG (DE) 2010-08-24 US disclosed
EP-1226107-B1 N-BENZYL-P-PHENYLENEDIAMINE-DERIVATIVES CONTAINING COLOURING AGENTS FOR KERATIN FIBRES AND NOVEL N-BENZYL-P-PHENYLENEDIAMINE-DERIVATIVES WELLA AG (DE) 2005-10-05 EP disclosed
US-6689174-B2 FOR OXIDATIVELY DYEING HUMAN HAIR WELLA AKTIENGESELLSCHAFT (DE) 2004-02-10 US disclosed
EP-1226107-A1 N-BENZYL-P-PHENYLENEDIAMINE-DERIVATIVES CONTAINING COLOURING AGENTS FOR KERATIN FIBRES AND NOVEL N-BENZYL-P-PHENYLENEDIAMINE-DERIVATIVES Wella Aktiengesellschaft (DE) 2002-07-31 EP disclosed
WO-2002018318-A1 N-BENZYL-P-PHENYLENEDIAMINE-DERIVATIVES CONTAINING COLOURING AGENTS FOR KERATIN FIBRES AND NOVEL N-BENZYL-P-PHENYLENEDIAMINE-DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 2002-03-07 WO disclosed