SCHEMBL13483285

SCHEMBL13483285

CCN(c1cccc(S(=O)(=O)CCOS(=O)(=O)O)c1)c1nc(Cl)nc(Nc2ccc(N=Nc3c(N)c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)cc(O)c34)c(S(=O)(=O)O)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.42
▸ ENPP2 Q13822 5/20 0.39
▸ CHAT P28329 3/20 0.36
▸ ENPP3 O14638 1/20 0.36
▸ ENPP1 P22413 1/20 0.36
▸ THRB P10828 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ PRMT1 Q99873 2/20 0.33
▸ USP2 O75604 1/20 0.33
▸ APEX1 P27695 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ DNASE1L3 Q13609 1/20 0.33
▸ CARM1 Q86X55 1/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA9 Q16790 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
SCHEMBL13483284 0.93 ENPP2 (0.48) FUT8ENPP2CHATENPP3ENPP1
SCHEMBL16389050 0.86 FUT8 (0.44) FUT8ENPP2CHATENPP3ENPP1
SCHEMBL16560632 0.84 FUT8 (0.51) FUT8ENPP2CHATENPP3ENPP1
SCHEMBL16626823 0.83 FUT8 (0.53) FUT8ENPP2CHATENPP3ENPP1
SCHEMBL13880686 0.82 PRMT1 (0.49) FUT8ENPP2MEN1KMT2APRMT1
SCHEMBL13482730 0.82 CA12 (0.30) FUT8CA12CA1CA2CA9
SCHEMBL14004226 0.82 CA1 (0.39) FUT8CHATENPP3ENPP1KMT2A
SCHEMBL16560640 0.81 FUT8 (0.53) FUT8ENPP2CHATENPP3ENPP1
SCHEMBL14038348 0.80 FUT8 (0.57) FUT8ENPP2CHATENPP3ENPP1
SCHEMBL14038377 0.80 FUT8 (0.46) FUT8ENPP2CHATENPP3ENPP1

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-7666232-B2 Triazine dyes; reproducibility, leveling, washing off and toughness; mixture with yellow reactive dye comprising Color Index (C.I.) Reactive Yellow 145 and/or C.I. Reactive Yellow 176; and blue reactive dye selected from C.I. Reactive Blue 194, C.I. Reactive Blue 221 and C.I. Reactive Blue 222 EVERLIGHT USA, INC. (US) 2010-02-23 — — US disclosed
US-20070094813-A1 Reactive trichromatic dye set EVERLIGHT USA, INC. (US) 2007-05-03 — — US disclosed
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