SCHEMBL11315827

SCHEMBL11315827

CNCC(=O)Nc1ccc2cc(S(=O)(=O)O)c(N=Nc3ccc4c(S(=O)(=O)O)cccc4c3S(=O)(=O)O)c(O)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CD40 P25942 1/20 0.45
▸ CD40LG P29965 1/20 0.45
▸ ENPP2 Q13822 9/20 0.45
▸ PRMT3 O60678 1/20 0.44
▸ EP300 Q09472 1/20 0.44
▸ PRMT6 Q96LA8 1/20 0.44
▸ PRMT1 Q99873 1/20 0.44
▸ MEN1 O00255 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ MPL P40238 1/20 0.39
▸ CTRC Q99895 1/20 0.39
▸ PHLPP2 Q6ZVD8 1/20 0.39
▸ CA2 P00918 2/20 0.38
▸ CA3 P07451 1/20 0.38
▸ CYP2C9 P11712 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ DNASE1L3 Q13609 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
SCHEMBL11303228 0.95 CD40 (0.51) CD40CD40LGENPP2PRMT3EP300
SCHEMBL8972650 0.91 ENPP2 (0.46) CD40CD40LGENPP2PRMT3EP300
SCHEMBL8972663 0.88 ENPP2 (0.53) CD40CD40LGENPP2PRMT3EP300
SCHEMBL10392594 0.87 ENPP2 (0.47) CD40CD40LGENPP2PRMT3EP300
SCHEMBL11324263 0.83 CYP1A2 (0.49) CD40CD40LGENPP2PRMT1MEN1
SCHEMBL8973057 0.83 ENPP2 (0.54) CD40CD40LGENPP2PRMT3EP300
SCHEMBL8124363 0.82 CD40 (0.51) CD40CD40LGENPP2PRMT3EP300
SCHEMBL8124361 0.82 CD40 (0.51) CD40CD40LGENPP2PRMT3EP300
SCHEMBL13629302 0.79 ENPP2 (0.54) CD40CD40LGENPP2MEN1THRB
SCHEMBL13763549 0.79 ALDH1A1 (0.52) CD40CD40LGENPP2PRMT3EP300

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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