SCHEMBL16552012

SCHEMBL16552012

Nc1nc(Cl)nc(Nc2ccc(S(=O)(=O)O)c(/N=N/c3c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)c(/N=N/c5ccc6c(S(=O)(=O)O)cccc6c5S(=O)(=O)O)c(O)c4c3N)c2)n1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 5/20 0.52
▸ FUT8 Q9BYC5 1/20 0.52
▸ PRMT1 Q99873 2/20 0.37
▸ CARM1 Q86X55 1/20 0.37
▸ CYP1A2 P05177 3/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ DNASE1L3 Q13609 1/20 0.37
▸ PHLPP2 Q6ZVD8 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ THRB P10828 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ HTT P42858 1/20 0.35
▸ HPGDS O60760 1/20 0.34
▸ ENPP3 O14638 1/20 0.33
▸ ENPP1 P22413 1/20 0.33
▸ CHAT P28329 1/20 0.33

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
SCHEMBL13632939 0.96 ENPP2 (0.54) ENPP2FUT8PRMT1CARM1CYP1A2
SCHEMBL18941922 0.89 FUT8 (0.47) ENPP2FUT8PRMT1CARM1CYP1A2
SCHEMBL14388914 0.87 FUT8 (0.50) ENPP2FUT8PRMT1CARM1CYP1A2
SCHEMBL14388943 0.87 FUT8 (0.50) ENPP2FUT8PRMT1CARM1CYP1A2
SCHEMBL16551891 0.86 FUT8 (0.48) ENPP2FUT8PRMT1CARM1CYP1A2
SCHEMBL14959362 0.86 FUT8 (0.59) ENPP2FUT8PRMT1CARM1CYP1A2
SCHEMBL12172962 0.86 FUT8 (0.59) ENPP2FUT8PRMT1CARM1CYP1A2
SCHEMBL20685379 0.86 FUT8 (0.65) ENPP2FUT8PRMT1CARM1CYP1A2
SCHEMBL20685366 0.86 FUT8 (0.65) ENPP2FUT8PRMT1CARM1CYP1A2
SCHEMBL13632940 0.86 FUT8 (0.51) ENPP2FUT8PRMT1CARM1CYP1A2

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
EP-2862902-A1 Dye mixtures of metal free reactive dyes, production and use DyStar Colours Distribution GmbH (DE) 2015-04-22 — — EP disclosed
WO-2015028499-A1 DYE MIXTURES OF REACTIVE DYES, PRODUCTION AND USE DYSTAR COLOURS DISTRIBUTION GMBH (DE) 2015-03-05 — — WO disclosed
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