SCHEMBL3459754

SCHEMBL3459754

CC(=O)c1cc([N+](=O)[O-])sc1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
LMNA P02545 3/20 0.40
ALOX15 P16050 2/20 0.38
HPGD P15428 2/20 0.38
MAPK1 P28482 1/20 0.35
CYP3A4 P08684 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CA12 O43570 2/20 0.34
CA9 Q16790 2/20 0.34
MAPT P10636 5/20 0.33
HTT P42858 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
USP47 Q96K76 1/20 0.33
NPC1 O15118 1/20 0.33
MITF O75030 1/20 0.33
RAB9A P51151 1/20 0.33
USP7 Q93009 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL10627352 0.84 ALDH1A1 (0.45) ALDH1A1LMNAALOX15HPGDMAPK1
SCHEMBL11634369 0.84 ALDH1A1 (0.46) ALDH1A1LMNAALOX15HPGDMAPK1
SCHEMBL9648276 0.83 LMNA (0.50) ALDH1A1LMNAALOX15HPGDMAPK1
SCHEMBL11634434 0.81 ALDH1A1 (0.50) ALDH1A1LMNAALOX15HPGDMAPK1
SCHEMBL9648315 0.80 ALDH1A1 (0.42) ALDH1A1LMNAALOX15HPGDMAPK1
Hydrochloric Acid SCHEMBL10731526 0.80 ALDH1A1 (0.49) ALDH1A1LMNAALOX15HPGDMAPK1
SCHEMBL16863723 0.80 LMNA (0.43) ALDH1A1LMNAMAPK1TDP1CA12
SCHEMBL2069098 0.78 ALDH1A1 (0.62) ALDH1A1LMNAALOX15HPGDMAPK1
SCHEMBL18357510 0.75 ALDH1A1 (0.44) ALDH1A1LMNAALOX15HPGDCYP3A4
SCHEMBL11637879 0.75 ALDH1A1 (0.46) ALDH1A1LMNAALOX15HPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105238094-A Red-light blue azo disperse dye with high color development strength and preparation method therefor LI HAIYU 2016-01-13 CN claimed
JP-1029463-A None JP disclosed
EP-1678259-B1 DISPERSE AZO DYESTUFFS DYSTAR COLOURS DISTRIB GMBH (DE) 2016-08-17 EP disclosed
CN-105238094-A Red-light blue azo disperse dye with high color development strength and preparation method therefor LI HAIYU 2016-01-13 CN disclosed
CN-105238094-A Red-light blue azo disperse dye with high color development strength and preparation method therefor LI HAIYU 2016-01-13 CN disclosed
US-8226758-B2 Disperse dyes mixtures DYSTAR COLOURS DEUTSCHLAND GMBH (DE) 2012-07-24 US disclosed
US-20100071589-A1 DISPERSE DYES MIXTURES DYSTAR TEXTIFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2010-03-25 US disclosed
CN-101563431-A Disperse dyes mixtures DYSTAR TEXTILFARBEN GMBH & CO (DE) 2009-10-21 CN disclosed
EP-2097490-A1 DISPERSE DYES MIXTURES DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2009-09-09 EP disclosed
CN-100439450-C Disperse azo dyestuffs DYSTAR TEXTILFARBEN GMBH & CO (DE) 2008-12-03 CN disclosed
US-5779781-A INK JET PRINTING; INK CONSISTS OF A MEDIUM CONTINING LOW MELTING SOLIDS, AN ORGANIC SOLVENT, A MIXTURE OF WATER AND WATER SOLUBLE ORGANIC SOLVENTS AND AN AZOTHIOPHENE DYE ZENECA LIMITED (GB) 1998-07-14 US disclosed
EP-0842227-A1 AZOTHIOPHENES BASF AKTIENGESELLSCHAFT (DE) 1998-05-20 EP disclosed
US-5739299-A GOOD WET FASTNESS AND LIGHT FASTNESS PROPERTIES ZENECA LIMITED (GB) 1998-04-14 US disclosed
WO-1997004030-A1 AZOTHIOPHENES BASF AKTIENGESELLSCHAFT (DE) 1997-02-06 WO disclosed
EP-0740690-A1 MONOAZO DYES CONTAINING A FLUOROSULPHONYL GROUP AND USE THEREOF ZENECA LIMITED (GB) 1996-11-06 EP disclosed
WO-1995020014-A1 MONOAZO DYES CONTAINING A FLUOROSULPHONYL GROUP AND USE THEREOF ZENECA LIMITED (GB) 1995-07-27 WO disclosed
EP-0588489-A1 Disperse dyes, free from sulphonic or carboxylic acid groups ZENECA LIMITED (GB) 1994-03-23 EP disclosed
EP-0297710-B1 DISPERSE DYES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-12-02 EP disclosed
US-4881943-A Disperse dyes: nitro-thiophene azo dyes for bright blue shades on polyester IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-11-21 US disclosed
EP-0297710-A1 Disperse dyes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-01-04 EP disclosed