SCHEMBL9628561

SCHEMBL9628561

[N]c1ccc2c(O)c(N=Nc3ccccc3S(=O)(=O)O)c(S(=O)(=O)O)cc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.50
ALDH1A1 P00352 2/20 0.50
HIF1A Q16665 2/20 0.50
CD40 P25942 1/20 0.48
CD40LG P29965 1/20 0.48
CYP2C9 P11712 1/20 0.48
MAPK1 P28482 1/20 0.48
DNASE1L3 Q13609 1/20 0.48
ENPP2 Q13822 5/20 0.48
MEN1 O00255 1/20 0.47
THRB P10828 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PRMT1 Q99873 2/20 0.47
PRMT3 O60678 1/20 0.47
EP300 Q09472 1/20 0.47
PRMT6 Q96LA8 1/20 0.47
PHLPP2 Q6ZVD8 1/20 0.46
MPL P40238 2/20 0.46
CTRC Q99895 1/20 0.46

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
SCHEMBL9628553 1.00 CYP1A2 (0.50) CYP1A2ALDH1A1HIF1ACD40CD40LG
SCHEMBL7591251 0.85 CYP1A2 (0.50) CYP1A2ALDH1A1HIF1ACD40CD40LG
SCHEMBL7766620 0.85 PHLPP2 (0.61) CYP1A2ALDH1A1HIF1ACD40CD40LG
SCHEMBL7591259 0.85 PHLPP2 (0.61) CYP1A2ALDH1A1HIF1ACD40CD40LG
SCHEMBL7591253 0.85 CYP1A2 (0.50) CYP1A2ALDH1A1HIF1ACD40CD40LG
SCHEMBL14294563 0.82 ENPP2 (0.57) CYP1A2ALDH1A1HIF1ACD40CD40LG
SCHEMBL1472399 0.80 CYP1A2 (0.62) CYP1A2ALDH1A1HIF1ACYP2C9MAPK1
SCHEMBL1472408 0.80 CYP1A2 (0.62) CYP1A2ALDH1A1HIF1ACYP2C9MAPK1
SCHEMBL29050868 0.79 CYP1A2 (0.61) CYP1A2ALDH1A1HIF1ACYP2C9MAPK1
SCHEMBL4939211 0.79 CYP1A2 (0.65) CYP1A2ALDH1A1HIF1ACD40CD40LG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5118737-A Ink jet printing CANON KABUSHIKI KAISHA (JP) 1992-06-02 US claimed
EP-0176195-B1 WATER-SOLUBLE DYE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-06-26 EP claimed
US-4799960-A JET PRINTING; METALLIZED AZO DYES; WORKABILITY IN LIQUID MEDIUM CANON KABUSHIKI KAISHA (JP) 1989-01-24 US claimed
US-4790879-A Water-soluble triazane dyestuffs free from cellulose reactive groups and suitable for use in inks CANON KABUSHIKI KAISHA (JP) 1988-12-13 US claimed
US-4705528-A Water-soluble triazine black dyes from cellulose reactive groups and suitable for use in inks IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-11-10 US claimed
US-4703113-A Water-soluble triazine black dyes free from cellulose reactive groups and suitable for use in inks IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-10-27 US claimed
EP-0179549-A2 Water-soluble dye IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-04-30 EP claimed
EP-0177138-A2 Water-soluble dye IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-04-09 EP claimed
EP-0176195-A2 Water-soluble dye IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-04-02 EP claimed
US-5118737-A Ink jet printing CANON KABUSHIKI KAISHA (JP) 1992-06-02 US disclosed
EP-0176195-B1 WATER-SOLUBLE DYE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-06-26 EP disclosed
EP-0173476-B1 WATER-SOLUBLE DYE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-05-29 EP disclosed
EP-0176196-B1 WATER-SOLUBLE DYE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-04-11 EP disclosed
US-4799960-A JET PRINTING; METALLIZED AZO DYES; WORKABILITY IN LIQUID MEDIUM CANON KABUSHIKI KAISHA (JP) 1989-01-24 US disclosed
US-4634555-A INK JET PRINTING IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-01-06 US disclosed
EP-0179549-A2 Water-soluble dye IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-04-30 EP disclosed
EP-0177138-A2 Water-soluble dye IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-04-09 EP disclosed
EP-0176195-A2 Water-soluble dye IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-04-02 EP disclosed
EP-0176196-A2 Water-soluble dye IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-04-02 EP disclosed
EP-0173476-A2 Water-soluble dye IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-03-05 EP disclosed