SCHEMBL8779954

SCHEMBL8779954

CNCC(=O)Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(N=Nc3ccc(-c4ccc(N=Nc5c(S(=O)(=O)O)cc6cc(S(=O)(=O)O)cc(NC(=O)CNC)c6c5O)c(OC)c4)cc3OC)c(O)c12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 7/20 0.67
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ HTT P42858 1/20 0.51
▸ PHLPP2 Q6ZVD8 2/20 0.46
▸ PRMT1 Q99873 2/20 0.45
▸ MAPK1 P28482 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ APEX1 P27695 1/20 0.44
▸ BRCA1 P38398 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ SLC10A1 Q14973 1/20 0.44

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
SCHEMBL8780029 0.87 ENPP2 (0.49) ENPP2MEN1KMT2AHTTPHLPP2
SCHEMBL8779867 0.86 ENPP2 (0.55) ENPP2MEN1KMT2AHTTPHLPP2
SCHEMBL10864673 0.86 ENPP2 (0.55) ENPP2MEN1KMT2AHTTPHLPP2
SCHEMBL8779901 0.84 FUT8 (0.59) ENPP2MEN1KMT2AHTTPHLPP2
SCHEMBL11306748 0.84 PRMT1 (0.54) ENPP2MEN1KMT2AHTTPHLPP2
SCHEMBL8972609 0.82 PRMT1 (0.51) ENPP2MEN1KMT2AHTTPHLPP2
SCHEMBL8779959 0.82 ENPP2 (0.63) ENPP2MEN1KMT2AHTTPHLPP2
SCHEMBL8779895 0.81 CYP1A2 (0.54) ENPP2MEN1KMT2AHTTPHLPP2
SCHEMBL11324263 0.80 CYP1A2 (0.49) ENPP2MEN1KMT2AHTTPHLPP2
SCHEMBL8780040 0.80 ENPP2 (1.00) ENPP2MEN1KMT2AHTTPHLPP2

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
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-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-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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