SCHEMBL10864673

SCHEMBL10864673

CNCC(=O)Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(N=Nc3cc(C)c(N=Nc4cc(S(=O)(=O)O)ccc4S(=O)(=O)O)cc3OC)c(O)c12

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 9/20 0.55
▸ PRMT1 Q99873 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ FUT8 Q9BYC5 1/20 0.43
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ DNASE1L3 Q13609 1/20 0.41
▸ PHLPP2 Q6ZVD8 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ PTPN1 P18031 2/20 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
SCHEMBL8779867 0.92 ENPP2 (0.55) ENPP2PRMT1MEN1HTTKMT2A
SCHEMBL11306748 0.91 PRMT1 (0.54) ENPP2PRMT1MEN1HTTKMT2A
SCHEMBL8779954 0.86 ENPP2 (0.67) ENPP2PRMT1MEN1HTTKMT2A
SCHEMBL7591240 0.83 ENPP2 (0.70) ENPP2PRMT1MEN1HTTKMT2A
SCHEMBL9626844 0.83 ENPP2 (0.70) ENPP2PRMT1MEN1HTTKMT2A
SCHEMBL7591226 0.83 ENPP2 (0.60) ENPP2PRMT1MEN1HTTKMT2A
SCHEMBL7591235 0.83 ENPP2 (0.60) ENPP2PRMT1MEN1HTTKMT2A
SCHEMBL8779901 0.82 FUT8 (0.59) ENPP2PRMT1MEN1HTTKMT2A
SCHEMBL8780029 0.82 ENPP2 (0.49) ENPP2PRMT1MEN1HTTKMT2A
SCHEMBL18218227 0.81 ENPP2 (0.52) ENPP2PRMT1MEN1HTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4626589-A Organic dye compound having both pyridiniotriazinyl and vinylsulfone type fiber-reactive groups SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-12-02 — — US disclosed
EP-0167219-A1 Fiber-reactive compound having both pyridiniotriazinyl and vinylsulfone type groups SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-01-08 — — 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-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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