SCHEMBL7642996

SCHEMBL7642996

O=[N+]([O-])c1ccccc1NCCCn1ccnc1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 7/20 0.56
KAT2B Q92831 2/20 0.56
ALDH1A1 P00352 3/20 0.55
POLB P06746 2/20 0.55
SOD1 P00441 3/20 0.54
CYP19A1 P11511 1/20 0.52
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
KDM4E B2RXH2 2/20 0.48
LMNA P02545 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL4280470 0.92 KAT2B (0.51) QPCTKAT2BALDH1A1POLBSOD1
SCHEMBL9940645 0.83 MAPT (0.54) QPCTALDH1A1POLBCYP19A1KDM4E
SCHEMBL9725145 0.83 SOD1 (0.55) QPCTALDH1A1POLBSOD1CYP19A1
SCHEMBL5718326 0.82 QPCT (0.56) QPCTALDH1A1CYP19A1MAOBKDM4E
SCHEMBL5718416 0.81 CYP19A1 (0.50) QPCTALDH1A1POLBSOD1CYP19A1
SCHEMBL6151788 0.80 CYP19A1 (0.53) QPCTALDH1A1POLBSOD1CYP19A1
SCHEMBL6151779 0.80 CYP19A1 (0.50) QPCTKAT2BALDH1A1POLBCYP19A1
SCHEMBL7665095 0.80 CYP19A1 (0.49) QPCTALDH1A1POLBSOD1CYP19A1
SCHEMBL7117493 0.79 CYP19A1 (0.53) QPCTALDH1A1CYP19A1KDM4ELMNA
SCHEMBL9226499 0.79 POLB (0.64) QPCTALDH1A1POLBCYP19A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6468316-B1 DIRECT DYES HAVING COLORFASTNESS AND SOLUBILITY, USED FOR HUMAN HAIR L'OREAL S.A. (FR) 2002-10-22 US disclosed
US-6379398-B1 AROMATIC DIAMINES AS HAIR DYES L'OREAL (FR) 2002-04-30 US disclosed
US-6340371-B1 Cationic ortho-phenylenediamines, their use for the oxidation dyeing of keratin fibers, dye compositions and dyeing processes L'OREAL S.A. (FR) 2002-01-22 US disclosed
US-6204264-B1 Benzimidazole derivative, hair growth promoter and external composition for skin using the same SHISEIDO CO., LTD. (JP) 2001-03-20 US disclosed
EP-1020176-A2 Use of cationic bis-nitrobenzenes for dyeing of keratinic fibers, dyeing compositions and dyeing process L'OREAL (FR) 2000-07-19 EP disclosed
EP-0989123-A1 Benzimidazole derivative, hair growth promoter and external composition for skin using the same SHISEIDO COMPANY LIMITED (JP) 2000-03-29 EP disclosed
EP-0984007-A1 Cationic orthophenylenediamines, their use for the oxidation dyeing of keratinous fibres, dyeing compositions and dyeing methods L'OREAL (FR) 2000-03-08 EP disclosed
EP-0984006-A1 Cationic compounds, their use for the oxidation dyeing of keratinous fibres, dyeing compositions and dyeing methods L'OREAL (FR) 2000-03-08 EP disclosed