SCHEMBL11320889

SCHEMBL11320889

CNCC(=O)Nc1ccc2c(O)c(N=Nc3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c3O)c(S(=O)(=O)O)cc2c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CD40 P25942 1/20 0.57
▸ CD40LG P29965 1/20 0.57
▸ ENPP2 Q13822 10/20 0.53
▸ PRMT1 Q99873 2/20 0.51
▸ PRMT3 O60678 1/20 0.51
▸ EP300 Q09472 1/20 0.51
▸ PRMT6 Q96LA8 1/20 0.51
▸ ALDH1A1 P00352 2/20 0.44
▸ HIF1A Q16665 2/20 0.44
▸ CYP1A2 P05177 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ CA2 P00918 1/20 0.42
▸ CA3 P07451 1/20 0.42
▸ CYP2C9 P11712 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ DNASE1L3 Q13609 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
SCHEMBL8973057 0.88 ENPP2 (0.54) CD40CD40LGENPP2PRMT1PRMT3
SCHEMBL8972450 0.84 ENPP2 (0.56) CD40CD40LGENPP2PRMT1PRMT3
SCHEMBL11303228 0.82 CD40 (0.51) CD40CD40LGENPP2PRMT1PRMT3
SCHEMBL8972663 0.82 ENPP2 (0.53) CD40CD40LGENPP2PRMT1PRMT3
SCHEMBL14493336 0.79 ENPP2 (0.55) CD40CD40LGENPP2PRMT1ALDH1A1
SCHEMBL20746879 0.77 ENPP2 (0.61) CD40CD40LGENPP2PRMT1PRMT3
SCHEMBL11315827 0.77 CD40 (0.45) CD40CD40LGENPP2PRMT1PRMT3
SCHEMBL17277636 0.77 CD40 (0.74) CD40CD40LGENPP2PRMT1PRMT3
SCHEMBL8972650 0.76 ENPP2 (0.46) CD40CD40LGENPP2PRMT1PRMT3
SCHEMBL13014584 0.76 CD40 (0.59) CD40CD40LGENPP2PRMT1PRMT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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