SCHEMBL8972450

SCHEMBL8972450

CNCC(=O)Nc1ccc2c(O)c(N=Nc3cc(C)c(N=Nc4cc(S(=O)(=O)O)ccc4S(=O)(=O)O)cc3O)c(S(=O)(=O)O)cc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 9/20 0.56
▸ CD40 P25942 1/20 0.52
▸ CD40LG P29965 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.47
▸ HIF1A Q16665 2/20 0.47
▸ PRMT1 Q99873 2/20 0.45
▸ PRMT3 O60678 1/20 0.45
▸ EP300 Q09472 1/20 0.45
▸ PRMT6 Q96LA8 1/20 0.45
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ THRB P10828 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA3 P07451 1/20 0.41
▸ SUMO2 P61956 1/20 0.40
▸ SUMO1 P63165 1/20 0.40
▸ SENP7 Q9BQF6 1/20 0.40
▸ SENP3 Q9H4L4 1/20 0.40
▸ SENP2 Q9HC62 1/20 0.40

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
SCHEMBL14294153 0.88 ENPP2 (0.57) ENPP2CD40CD40LGALDH1A1HIF1A
SCHEMBL11320889 0.84 CD40 (0.57) ENPP2CD40CD40LGALDH1A1HIF1A
SCHEMBL10393298 0.81 ALDH1A1 (0.52) ENPP2CD40CD40LGALDH1A1HIF1A
SCHEMBL20746887 0.81 ENPP2 (0.62) ENPP2CD40CD40LGALDH1A1HIF1A
SCHEMBL12744371 0.80 CD40 (0.59) ENPP2CD40CD40LGALDH1A1HIF1A
SCHEMBL13014584 0.80 CD40 (0.59) ENPP2CD40CD40LGALDH1A1HIF1A
SCHEMBL8973057 0.80 ENPP2 (0.54) ENPP2CD40CD40LGALDH1A1HIF1A
SCHEMBL17277636 0.78 CD40 (0.74) ENPP2CD40CD40LGALDH1A1HIF1A
SCHEMBL13881017 0.78 ENPP2 (0.54) ENPP2CD40CD40LGALDH1A1HIF1A
SCHEMBL14388145 0.78 CD40 (0.61) ENPP2CD40CD40LGALDH1A1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0481449-B1 Ink compositions for ink jet recording SUMITOMO CHEMICAL CO (JP) 1996-03-27 — — EP disclosed
EP-0481449-A2 Ink compositions for ink jet recording SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-04-22 — — 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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