SCHEMBL14388914

SCHEMBL14388914

Nc1c(/N=N/c2cc(Nc3nc(Cl)nc(Nc4ccc(S(=O)(=O)CCOS(=O)(=O)O)cc4)n3)ccc2S(=O)(=O)O)c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(/N=N/c3ccc4c(S(=O)(=O)O)cccc4c3S(=O)(=O)O)c(O)c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.50
▸ ENPP2 Q13822 6/20 0.45
▸ THRB P10828 3/20 0.42
▸ CARM1 Q86X55 1/20 0.36
▸ PRMT1 Q99873 1/20 0.36
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ CHAT P28329 3/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ DNASE1L3 Q13609 1/20 0.34
▸ PHLPP2 Q6ZVD8 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ APEX1 P27695 1/20 0.34
▸ ENPP3 O14638 1/20 0.32
▸ ENPP1 P22413 1/20 0.32
▸ CD40 P25942 1/20 0.32
▸ CD40LG P29965 1/20 0.32

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
SCHEMBL14388943 1.00 FUT8 (0.50) FUT8ENPP2THRBCARM1PRMT1
SCHEMBL16551891 0.96 FUT8 (0.48) FUT8ENPP2THRBCARM1PRMT1
SCHEMBL14514299 0.89 FUT8 (0.54) FUT8ENPP2THRBCARM1PRMT1
SCHEMBL14565547 0.89 FUT8 (0.50) FUT8ENPP2THRBCARM1PRMT1
SCHEMBL13880626 0.89 FUT8 (0.50) FUT8ENPP2THRBCARM1PRMT1
SCHEMBL13632939 0.89 ENPP2 (0.54) FUT8ENPP2THRBCARM1PRMT1
SCHEMBL29886810 0.88 FUT8 (0.65) FUT8ENPP2THRBCARM1PRMT1
SCHEMBL13138839 0.88 FUT8 (0.65) FUT8ENPP2THRBCARM1PRMT1
SCHEMBL14514300 0.88 FUT8 (0.65) FUT8ENPP2THRBCARM1PRMT1
SCHEMBL12053492 0.87 FUT8 (0.44) FUT8ENPP2THRBCARM1PRMT1

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-20070271711-A1 Dye Mixtures of Fibre-Reactive Azo Dyes Production and Use Thereof DYSTAR TEXTILFARBEN GMBH & CO., DEUTSCHLAND KG (DE) 2007-11-29 — — US disclosed
WO-2007039573-A2 AZO REACTIVE DYES AND MIXTURES OF FIBER-REACTIVE AZO DYES, THEIR PREPARATION AND THEIR USE DYSTAR TEXTILFARBEN GMBH & CO DEUTSCHLAND KG (DE) 2007-04-12 — — WO disclosed
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