SCHEMBL4964293

SCHEMBL4964293

Nc1c(O)ccc([N+](=O)[O-])c1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.52
MAPK1 P28482 3/20 0.52
ALOX15 P16050 1/20 0.52
HSD17B10 Q99714 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CYP3A4 P08684 2/20 0.49
ALDH1A1 P00352 2/20 0.49
TSHR P16473 4/20 0.47
TP53 P04637 2/20 0.47
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HIF1A Q16665 1/20 0.47
CTSB P07858 1/20 0.47
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
GPR35 Q9HC97 4/20 0.44
THRB P10828 2/20 0.44
MEN1 O00255 2/20 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
SCHEMBL11551963 0.84 TDP1 (0.59) TDP1MAPK1ALOX15CYP3A4ALDH1A1
SCHEMBL6712883 0.82 MAPK1 (0.57) TDP1MAPK1ALOX15HSD17B10L3MBTL1
SCHEMBL218885 0.82 TDP1 (0.63) TDP1MAPK1ALOX15HSD17B10L3MBTL1
SCHEMBL4217608 0.80 TDP1 (0.55) TDP1MAPK1ALOX15HSD17B10L3MBTL1
SCHEMBL10727741 0.80 TDP1 (0.67) TDP1MAPK1HSD17B10CYP3A4ALDH1A1
Hydrochloric Acid SCHEMBL27568534 0.78 MAPK1 (0.53) TDP1MAPK1ALOX15HSD17B10L3MBTL1
SCHEMBL10907363 0.78 GPR35 (0.55) TDP1MAPK1ALOX15HSD17B10L3MBTL1
SCHEMBL9751089 0.78 GPR35 (0.55) TDP1MAPK1ALOX15HSD17B10L3MBTL1
SCHEMBL19946010 0.77 TDP1 (0.52) TDP1MAPK1ALOX15HSD17B10L3MBTL1
SCHEMBL34473116 0.77 TDP1 (0.52) TDP1MAPK1ALOX15HSD17B10L3MBTL1

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
CN-101360475-A Hair colouring kits and methods of use thereof PROCTER & GAMBLE (US) 2009-02-04 CN disclosed
EP-1877031-A2 HAIR COLOURING KITS AND METHODS OF USE THEREOF The Procter and Gamble Company (US) 2008-01-16 EP disclosed
US-20070017039-A1 Methods of merchandising hair color refresher products PROCTER & GAMBLE COMPANY, THE 2007-01-25 US disclosed
WO-2006118942-A2 HAIR COLOURING KITS AND METHODS OF USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2006-11-09 WO disclosed
US-6770102-B1 AROMATIC ALDEHYDES OR KETONES AND CH-ACTIVE COMPOUNDS; DOES NOT REQUIRE OXIDIZING AGENT; BRILLIANCE; COLOR DEPTH; WIDE VARIETY OF SHADES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-08-03 US disclosed