SCHEMBL3759140

SCHEMBL3759140

c1ccc2c3c(ccc2c1)N=[N+]N3

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 3/20 0.41
CYP2A6 P11509 3/20 0.41
TSHR P16473 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
HPRT1 P00492 1/20 0.38
HIF1A Q16665 1/20 0.35
CYP1B1 Q16678 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP1A2 P05177 2/20 0.32

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
SCHEMBL2165115 0.64 CA12 (0.42) ALDH1A1HSD17B10CYP2A6TSHRTDP1
Phenanthrene SCHEMBL29477074 0.62 CYP2A6 (1.00) ALDH1A1HSD17B10CYP2A6TSHRTDP1
Phenanthrene SCHEMBL29358486 0.62 CYP2A6 (1.00) ALDH1A1HSD17B10CYP2A6TSHRTDP1
Phenanthrene SCHEMBL8873977 0.62 CYP2A6 (1.00) ALDH1A1HSD17B10CYP2A6TSHRTDP1
Phenanthrene SCHEMBL30932938 0.62 CYP2A6 (1.00) ALDH1A1HSD17B10CYP2A6TSHRTDP1
Phenanthrene SCHEMBL7643 0.62 CYP2A6 (1.00) ALDH1A1HSD17B10CYP2A6TSHRTDP1
Phenanthrene SCHEMBL1330750 0.62 CYP2A6 (1.00) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL4982973 0.61 ALDH1A1 (0.52) ALDH1A1HSD17B10CYP2A6TSHRTDP1
Phenanthrene SCHEMBL25318236 0.60 CYP2A6 (0.92) ALDH1A1HSD17B10CYP2A6TSHRTDP1
Phenanthrene SCHEMBL9994193 0.60 CYP2A6 (0.92) ALDH1A1HSD17B10CYP2A6TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4992204-A LUMINOPHORE LINKED TO POLYALKYLENE MOIETY MILIKEN RESEARCH CORPORATION (US) 1991-02-12 US claimed
US-7846522-B2 Discoloration-resistant articles for applying color on surfaces and methods of reducing discoloration in articles for applying color on surfaces THE PROCTER & GAMBLE COMPANY (US) 2010-12-07 US disclosed
EP-1715997-A1 DISCOLORATION-RESISTANT ARTICLES FOR APPLYING COLOR ON SURFACES AND METHODS OF REDUCING DISCOLORATION IN ARTICLES FOR APPLYING COLOR ON SURFACES The Procter and Gamble Company (US) 2006-11-02 EP disclosed
US-20060046027-A1 Discoloration-resistant articles for applying color on surfaces and methods of reducing discoloration in articles for applying color on surfaces THE PROCTER & GAMBLE COMPANY (US) 2006-03-02 US disclosed
US-20060046028-A1 Discoloration-resistant articles for applying color on surfaces and methods of reducing discoloration in articles for applying color on surfaces THE PROCTER & GAMBLE COMPANY (US) 2006-03-02 US disclosed
WO-2005087492-A1 DISCOLORATION-RESISTANT ARTICLES FOR APPLYING COLOR ON SURFACES AND METHODS OF REDUCING DISCOLORATION IN ARTICLES FOR APPLYING COLOR ON SURFACES THE PROCTER & GAMBLE COMPANY (US) 2005-09-22 WO disclosed
EP-0455054-B1 Reactive polyazo dyes BAYER AG (DE) 1994-10-26 EP disclosed
US-5166325-A Oxidation resistant fiber reactive dyes for cellulose BAYER AKTIENGESELLSCHAFT (DE) 1992-11-24 US disclosed
EP-0455054-A1 Reactive polyazo dyes BAYER AG (DE) 1991-11-06 EP disclosed
US-4992204-A LUMINOPHORE LINKED TO POLYALKYLENE MOIETY MILIKEN RESEARCH CORPORATION (US) 1991-02-12 US disclosed