SCHEMBL4807504

SCHEMBL4807504

O=[N+]([O-])c1cc(Cl)c(O)c(NCCO)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.53
KMT2A Q03164 3/20 0.49
TSHR P16473 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
PDPK1 O15530 1/20 0.46
CYTH3 O43739 1/20 0.46
AKT1 P31749 1/20 0.46
ALDH1A1 P00352 7/20 0.44
MAPT P10636 4/20 0.43
PKM P14618 2/20 0.42
MEN1 O00255 2/20 0.42
LMNA P02545 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.41
GAA P10253 1/20 0.39

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
SCHEMBL3250051 0.93 GPR35 (0.47) GPR35KMT2ATSHRTDP1PDPK1
SCHEMBL9359949 0.87 GPR35 (0.51) GPR35KMT2APDPK1CYTH3AKT1
SCHEMBL23789 0.83 ALDH1A1 (0.53) GPR35KMT2ATSHRTDP1ALDH1A1
SCHEMBL27525505 0.83 GPR35 (0.54) GPR35KMT2APDPK1CYTH3AKT1
SCHEMBL24684 0.83 GPR35 (0.54) GPR35KMT2APDPK1CYTH3AKT1
SCHEMBL5201964 0.80 KMT2A (0.65) KMT2ATSHRTDP1ALDH1A1MAPT
SCHEMBL29567126 0.80 KMT2A (0.65) KMT2ATSHRTDP1ALDH1A1MAPT
SCHEMBL113357 0.80 KMT2A (0.61) KMT2ATSHRTDP1ALDH1A1MAPT
SCHEMBL9359770 0.79 GPR35 (0.50) GPR35KMT2ATDP1PDPK1CYTH3
SCHEMBL9359735 0.79 GPR35 (0.50) GPR35KMT2APDPK1CYTH3AKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0876135-B1 DYEING AGENT FOR DYEING KERATIN FIBRES WELLA AG (DE) 2003-04-09 EP claimed
EP-0896519-B1 COLORANTS FOR COLOURING KERATIN FIBRES WELLA AG (DE) 2003-04-09 EP claimed
EP-0895471-B1 DYEING AGENT FOR DYEING KERATIN FIBRES WELLA AG (DE) 2003-04-02 EP claimed
EP-0874615-B1 COLORANTS FOR COLOURING KERATIN FIBRES WELLA AG (DE) 2003-04-02 EP claimed
EP-0881894-B1 DYEING AGENT FOR DYEING KERATIN FIBRES WELLA AG (DE) 2002-10-30 EP claimed
US-6102974-A MIXTURE OF OXIDATION DAYE AND 2-AMINO-6-CHLORO-4-NITROPHENOL WELLA AKTIENGESELLSCHAFT (DE) 2000-08-15 US claimed
EP-0896519-A1 COLORANTS FOR COLOURING KERATIN FIBRES Wella Aktiengesellschaft (DE) 1999-02-17 EP claimed
EP-0895471-A1 DYEING AGENT FOR DYEING KERATIN FIBRES Wella Aktiengesellschaft (DE) 1999-02-10 EP claimed
EP-0876135-A1 DYEING AGENT FOR DYEING KERATIN FIBRES Wella Aktiengesellschaft (DE) 1998-11-11 EP claimed
EP-0874615-A1 COLORANTS FOR COLOURING KERATIN FIBRES Wella Aktiengesellschaft (DE) 1998-11-04 EP claimed
WO-1998019660-A1 COLORANTS FOR COLOURING KERATIN FIBRES WELLA AKTIENGESELLSCHAFT (DE) 1998-05-14 WO claimed
WO-1998019661-A1 COLORANTS FOR COLOURING KERATIN FIBRES WELLA AKTIENGESELLSCHAFT (DE) 1998-05-14 WO claimed
WO-1998019659-A1 DYEING AGENT FOR DYEING KERATIN FIBRES WELLA AKTIENGESELLSCHAFT (DE) 1998-05-14 WO claimed
WO-1998018436-A1 DYEING AGENT FOR DYEING KERATIN FIBRES WELLA AKTIENGESELLSCHAFT (DE) 1998-05-07 WO claimed
WO-1998017233-A1 DYEING AGENT FOR DYEING KERATIN FIBRES WELLA AKTIENGESELLSCHAFT (DE) 1998-04-30 WO claimed
CN-102824280-A Oxidizing hair colourant compositions PROCTER & GAMBLE 2012-12-19 CN disclosed
US-7462204-B2 Cationic diaminopyrazoles, a process for producing them and colorants containing these compounds WELLA AG (DE) 2008-12-09 US disclosed
US-5067966-A Direct dyeing nitro dye for hair dyes which can be combined with a polymer WELLA AKTIENGESELLSCHAFT (DE) 1991-11-26 US disclosed
WO-1990007557-A1 2-AMINO-6-CHLOR-4-NITROPHENOL DERIVATIVES, PROCESS FOR OBTAINING THEM AND HAIR DYE CONTAINING THESE COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 1990-07-12 WO disclosed
EP-0376047-A1 2-Amino-6-chloro-4-nitrophenol derivatives, process for their preparation and hair dyeing agent containing the same Wella Aktiengesellschaft (DE) 1990-07-04 EP disclosed