SCHEMBL13934364

SCHEMBL13934364

Nc1c(/N=N/c2cc(Nc3nc(Cl)nc(Nc4cccc(S(=O)(=O)O)c4)n3)ccc2S(=O)(=O)O)c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(/N=N/c3cc(Nc4nc(Cl)nc(Nc5cccc(S(=O)(=O)O)c5)n4)ccc3S(=O)(=O)O)c(O)c12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.62
▸ CHAT P28329 3/20 0.49
▸ ENPP3 O14638 1/20 0.49
▸ ENPP1 P22413 1/20 0.49
▸ CYP1A2 P05177 2/20 0.47
▸ PRMT1 Q99873 2/20 0.45
▸ ENPP2 Q13822 7/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ DNASE1L3 Q13609 1/20 0.44
▸ USP2 O75604 1/20 0.41
▸ APEX1 P27695 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ P2RX7 Q99572 1/20 0.38

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
SCHEMBL18220826 0.95 FUT8 (0.62) FUT8CHATENPP3ENPP1CYP1A2
SCHEMBL20685372 0.95 FUT8 (0.62) FUT8CHATENPP3ENPP1CYP1A2
SCHEMBL22768258 0.93 FUT8 (0.64) FUT8CHATENPP3ENPP1CYP1A2
SCHEMBL4162603 0.93 FUT8 (0.61) FUT8CHATENPP3ENPP1CYP1A2
SCHEMBL14080045 0.93 FUT8 (0.61) FUT8CHATENPP3ENPP1CYP1A2
SCHEMBL4162607 0.93 FUT8 (0.61) FUT8CHATENPP3ENPP1CYP1A2
SCHEMBL14045325 0.91 FUT8 (0.60) FUT8CHATENPP3ENPP1CYP1A2
SCHEMBL10600166 0.91 ENPP2 (0.54) FUT8CHATENPP3ENPP1CYP1A2
SCHEMBL10600162 0.91 ENPP2 (0.54) FUT8CHATENPP3ENPP1CYP1A2
SCHEMBL14959362 0.91 FUT8 (0.59) FUT8CHATENPP3ENPP1CYP1A2

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
US-20090041938-A1 MIXTURES OF FIBRE REACTIVE DYES PRODUCTION AND USE THEREOF DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2009-02-12 — — US disclosed
US-20090041938-A1 MIXTURES OF FIBRE REACTIVE DYES PRODUCTION AND USE THEREOF DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2009-02-12 — — US disclosed
WO-2007085572-A2 MIXTURES OF FIBRE REACTIVE DYES PRODUCTION AND USE THEREOF DYSTAR TEXTILFARBEN GMBH & CO DEUTSCHLAND KG (DE) 2007-08-02 — — WO disclosed
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