SCHEMBL8779910

SCHEMBL8779910

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 4/20 0.55
▸ MAPK1 P28482 2/20 0.55
▸ CYP2C9 P11712 2/20 0.55
▸ DNASE1L3 Q13609 1/20 0.55
▸ ENPP2 Q13822 5/20 0.51
▸ PHLPP2 Q6ZVD8 2/20 0.47
▸ FUT8 Q9BYC5 1/20 0.47
▸ PRMT1 Q99873 1/20 0.46
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ HTT P42858 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ HIF1A Q16665 2/20 0.44
▸ MPL P40238 1/20 0.42
▸ CTRC Q99895 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ CD40 P25942 1/20 0.41
▸ CD40LG P29965 1/20 0.41
▸ TSHR P16473 1/20 0.41

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
SCHEMBL11307037 0.94 CYP1A2 (0.54) CYP1A2MAPK1CYP2C9DNASE1L3ENPP2
SCHEMBL10394785 0.91 CYP1A2 (0.50) CYP1A2MAPK1CYP2C9DNASE1L3ENPP2
SCHEMBL8779895 0.90 CYP1A2 (0.54) CYP1A2MAPK1CYP2C9DNASE1L3ENPP2
SCHEMBL8779944 0.87 CYP1A2 (0.51) CYP1A2MAPK1CYP2C9DNASE1L3ENPP2
SCHEMBL8779919 0.87 CYP1A2 (0.51) CYP1A2MAPK1CYP2C9DNASE1L3ENPP2
SCHEMBL8779869 0.86 CYP1A2 (0.49) CYP1A2MAPK1CYP2C9DNASE1L3ENPP2
SCHEMBL8779889 0.86 CYP1A2 (0.54) CYP1A2MAPK1CYP2C9DNASE1L3ENPP2
SCHEMBL8779896 0.85 CYP1A2 (0.49) CYP1A2MAPK1CYP2C9DNASE1L3ENPP2
SCHEMBL6028562 0.83 PHLPP2 (0.65) CYP1A2MAPK1CYP2C9DNASE1L3ENPP2
SCHEMBL6028561 0.83 PHLPP2 (0.65) 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 8 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-5235046-A Colorfast, washfast SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-08-10 — — US 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
EP-0059355-A2 Use of reactive dyestuffs in dyeing and printing of hydroxylgroups containing fibrous materials BAYER AG (DE) 1982-09-08 — — EP disclosed
US-4213899-A FOR CELLULOSE IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1980-07-22 — — US disclosed
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