SCHEMBL107959

SCHEMBL107959

O=[N+]([O-])c1cc(N=Nc2c(O)ccc3ccccc23)c(O)c(S(=O)(=O)O)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.63
▸ CYP2C9 P11712 2/20 0.63
▸ TSHR P16473 2/20 0.63
▸ CYP2C19 P33261 2/20 0.63
▸ HSD17B10 Q99714 2/20 0.63
▸ CYP3A4 P08684 1/20 0.63
▸ CYP2D6 P10635 1/20 0.63
▸ HPGD P15428 1/20 0.63
▸ ALOX15 P16050 1/20 0.63
▸ ALOX12 P18054 1/20 0.63
▸ CSNK2A1 P68400 1/20 0.63
▸ PRMT1 Q99873 1/20 0.59
▸ MPL P40238 8/20 0.59
▸ CTRC Q99895 2/20 0.59
▸ HIF1A Q16665 2/20 0.58
▸ PTPRA P18433 1/20 0.58
▸ PTPRB P23467 1/20 0.58
▸ RAPGEF4 Q8WZA2 1/20 0.58
▸ ALDH1A1 P00352 2/20 0.51
▸ KMT2A Q03164 3/20 0.50

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
SCHEMBL107958 1.00 CYP1A2 (0.63) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL3188963 0.99 CYP1A2 (0.62) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL1435926 0.99 CYP1A2 (0.62) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL1435931 0.99 CYP1A2 (0.62) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL1435929 0.90 CYP1A2 (0.54) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL24026914 0.85 PRMT1 (0.50) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL24026725 0.84 HPGD (0.51) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL8912216 0.84 CYP1A2 (0.64) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL29259111 0.83 CYP1A2 (0.67) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL10897082 0.83 CYP1A2 (0.46) CYP1A2CYP2C9TSHRCYP2C19HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424491-B1 FILM FORMER IN HAIR COLOURS HENKEL AG & CO KGAA (DE) 2017-05-24 — — EP disclosed
EP-2797577-A2 COMPOSITIONS FOR DYEING KERATIN FIBERS Henkel AG & Co. KGaA (DE) 2014-11-05 — — EP disclosed
WO-2013092005-A2 COMPOSITIONS FOR DYEING KERATIN FIBERS HENKEL AG & CO. KGAA (DE) 2013-06-27 — — WO disclosed
EP-2424491-A2 FILM FORMER IN HAIR DYES Henkel AG & Co. KGaA (DE) 2012-03-07 — — EP disclosed
CN-101107328-B Dyeing agent containing cationic azacyanine dye PROCTER & GAMBLE 2011-08-10 — — CN disclosed
WO-2010124897-A2 FILM FORMER IN HAIR DYES HENKEL AG & CO. KGAA (DE) 2010-11-04 — — WO disclosed
CN-101107327-B Use of cationic azacyanine dyes for dyeing keratin fibres PROCTER & GAMBLE 2010-09-08 — — CN disclosed
CN-101043918-B Cationic azacyanine dyes and colorants containing said dyes PROCTER & GAMBLE 2010-05-26 — — CN disclosed
CN-101107327-A Use of cationic azacyanine dyes for dyeing keratin fibres PROCTER & GAMBLE (US) 2008-01-16 — — CN disclosed
CN-101107328-A Dyeing agent containing cationic azacyanine dye PROCTER & GAMBLE (US) 2008-01-16 — — CN disclosed
CN-101043918-A Cationic azacyanine dyes and colorants containing said dyes PROCTER & GAMBLE (US) 2007-09-26 — — CN disclosed
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