SCHEMBL8779896

SCHEMBL8779896

CCCCNCCC(=O)Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(N=Nc3ccc4ccccc4c3S(=O)(=O)O)c(O)c12

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.49
▸ MAPK1 P28482 2/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ DNASE1L3 Q13609 1/20 0.49
▸ ENPP2 Q13822 8/20 0.46
▸ FUT8 Q9BYC5 1/20 0.42
▸ PHLPP2 Q6ZVD8 1/20 0.42
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ PRMT1 Q99873 1/20 0.40
▸ HIF1A Q16665 1/20 0.39
▸ MPL P40238 1/20 0.37
▸ CTRC Q99895 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ CD40 P25942 1/20 0.37
▸ CD40LG P29965 1/20 0.37

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
SCHEMBL8779869 0.93 CYP1A2 (0.49) CYP1A2MAPK1CYP2C9DNASE1L3ENPP2
SCHEMBL8779919 0.89 CYP1A2 (0.51) CYP1A2MAPK1CYP2C9DNASE1L3ENPP2
SCHEMBL11307037 0.88 CYP1A2 (0.54) CYP1A2MAPK1CYP2C9DNASE1L3ENPP2
SCHEMBL8779895 0.85 CYP1A2 (0.54) CYP1A2MAPK1CYP2C9DNASE1L3ENPP2
SCHEMBL8779910 0.85 CYP1A2 (0.55) CYP1A2MAPK1CYP2C9DNASE1L3ENPP2
SCHEMBL8779944 0.83 CYP1A2 (0.51) CYP1A2MAPK1CYP2C9DNASE1L3ENPP2
SCHEMBL10069637 0.80 CYP1A2 (0.51) CYP1A2MAPK1CYP2C9DNASE1L3ENPP2
SCHEMBL8779889 0.80 CYP1A2 (0.54) CYP1A2MAPK1CYP2C9DNASE1L3ENPP2
SCHEMBL13763562 0.77 CYP1A2 (0.64) CYP1A2MAPK1CYP2C9DNASE1L3ENPP2
SCHEMBL11324263 0.77 CYP1A2 (0.49) CYP1A2MAPK1CYP2C9DNASE1L3ENPP2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0492128-B1 Triazine compounds and method for dyeing or printing fiber materials using the same SUMITOMO CHEMICAL CO (JP) 1997-06-04 — — EP disclosed
EP-0481449-B1 Ink compositions for ink jet recording SUMITOMO CHEMICAL CO (JP) 1996-03-27 — — EP disclosed
US-5183501-A A water-soluble azo, phthalocyanine, anthraquinone, dioxazine or formazan dye having one or more-SO2-CH2-CH2-SO3H groups, a solvent and water; heat and water resistance; colorfastness SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-02-02 — — US disclosed
EP-0492128-A1 Triazine compounds and method for dyeing or printing fiber materials using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-07-01 — — EP disclosed
EP-0481449-A2 Ink compositions for ink jet recording SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-04-22 — — EP disclosed
US-4263206-A Reactive dyestuffs containing chlorine or fluorine substituents and one or more 1,3-dicyanobenzene radicals linked to the dyestuff at the 2-, 4- or 6-position IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1981-04-21 — — US disclosed
US-4213899-A FOR CELLULOSE IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1980-07-22 — — US disclosed
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