SCHEMBL3378074

SCHEMBL3378074

O=[N+]([O-])c1cc(NCCO)ccc1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.61
ALDH1A1 P00352 3/20 0.50
TSHR P16473 2/20 0.50
MAPK1 P28482 2/20 0.50
HPGD P15428 2/20 0.50
TP53 P04637 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GPR35 Q9HC97 1/20 0.50
ALDH5A1 P51649 1/20 0.50
ABAT P80404 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49
POLB P06746 1/20 0.48
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
MAPT P10636 3/20 0.45

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
SCHEMBL3380429 0.91 EGFR (0.58) EGFRALDH1A1TSHRMAPK1HPGD
SCHEMBL2467881 0.87 GPR35 (0.50) EGFRALDH1A1TSHRMAPK1HPGD
SCHEMBL127370 0.84 ALDH1A1 (0.68) ALDH1A1TSHRSMN1; SMN2TDP1POLB
SCHEMBL29392416 0.84 ALDH1A1 (0.68) ALDH1A1TSHRSMN1; SMN2TDP1POLB
SCHEMBL8335461 0.83 MEN1 (0.54) ALDH1A1TSHRTDP1POLBMAPT
SCHEMBL2938667 0.83 MEN1 (0.54) ALDH1A1TSHRMAPK1HPGDSMN1; SMN2
SCHEMBL111190 0.83 MAPT (0.50) EGFRALDH1A1TSHRMAPK1HPGD
SCHEMBL19381677 0.82 EGFR (0.56) EGFRALDH1A1TSHRMAPK1HPGD
SCHEMBL2467753 0.81 ALDH1A1 (0.56) ALDH1A1TSHRTDP1MAPTRAB9A
SCHEMBL9776301 0.80 HTT (0.61) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1429715-B1 HAIR COLOURING COMPOSITIONS BOOTS CO PLC (GB) 2010-11-24 EP claimed
US-7172632-B2 Hair coloring compositions THE BOOTS COMPANY, PLC (GB) 2007-02-06 US claimed
US-20050039269-A1 Hair colouring compositions BOOTS COMPANY PLC, THE (GB) 2005-02-24 US claimed
EP-1429715-A2 HAIR COLOURING COMPOSITIONS The Boots Company PLC (GB) 2004-06-23 EP claimed
WO-2003015734-A2 HAIR COLOURING COMPOSITIONS THE BOOTS COMPANY PLC (GB) 2003-02-27 WO claimed
EP-0659399-B1 Process of direct hair using steam OREAL (FR) 1997-03-19 EP claimed
US-5496377-A HAIR DYES, NITRO-AMINE COMPOUNDS L'OREAL (FR) 1996-03-05 US claimed
EP-0659399-A1 Process of direct hair using steam L'OREAL (FR) 1995-06-28 EP claimed
EP-1429715-B1 HAIR COLOURING COMPOSITIONS BOOTS CO PLC (GB) 2010-11-24 EP disclosed
US-7172632-B2 Hair coloring compositions THE BOOTS COMPANY, PLC (GB) 2007-02-06 US disclosed
US-20050039269-A1 Hair colouring compositions BOOTS COMPANY PLC, THE (GB) 2005-02-24 US disclosed
US-6828443-B1 Dyes and colorants HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-12-07 US disclosed
EP-1429715-A2 HAIR COLOURING COMPOSITIONS The Boots Company PLC (GB) 2004-06-23 EP disclosed
EP-1189993-B1 NOVEL DYES AND COLORANTS HENKEL KGAA (DE) 2004-02-18 EP disclosed
US-5990355-A AN OXIDATIVE DYES FOR HAIR, FREE OF HYDROGEN PEROXIDE, EASIER TO USE, MILDER, AND BETTER TOLERATED BECAUSE THE COLOR DEVELOPMENT IS THROUGH AIR HANS SCHWARZKOPF GMBH & CO. KG. (DE) 1999-11-23 US disclosed
US-5676706-A HYDROGEN PEROXIDE-FREE HAIR COLORS; COLORFASTNESS HANS SCHWARZKOPF GMBH & CO. KG. (DE) 1997-10-14 US disclosed
EP-0659399-B1 Process of direct hair using steam OREAL (FR) 1997-03-19 EP disclosed
EP-0709365-A1 Substituted 2,4-diaminophenols, process for their preparation and hair dyes containing them Hans Schwarzkopf GmbH (DE) 1996-05-01 EP disclosed
US-5496377-A HAIR DYES, NITRO-AMINE COMPOUNDS L'OREAL (FR) 1996-03-05 US disclosed
EP-0659399-A1 Process of direct hair using steam L'OREAL (FR) 1995-06-28 EP disclosed