SCHEMBL16626824

SCHEMBL16626824

NC(=O)Nc1cc(Nc2nc(Cl)nc(Nc3cc(S(=O)(=O)CCOS(=O)(=O)O)cc(S(=O)(=O)O)c3O)n2)ccc1/N=N/c1cc2c(S(=O)(=O)O)cc(S(=O)(=O)O)cc2cc1S(=O)(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.46
▸ CARM1 Q86X55 1/20 0.35
▸ PRMT1 Q99873 1/20 0.35
▸ CHAT P28329 3/20 0.34
▸ USP2 O75604 1/20 0.34
▸ APEX1 P27695 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ THRB P10828 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ CD40 P25942 1/20 0.34
▸ CD40LG P29965 1/20 0.34
▸ ENPP3 O14638 1/20 0.34
▸ ENPP1 P22413 1/20 0.34
▸ ENPP2 Q13822 6/20 0.32
▸ NT5E P21589 1/20 0.32
▸ HPGDS O60760 1/20 0.31
▸ P2RX7 Q99572 1/20 0.31
▸ P2RX2 Q9UBL9 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ CA12 O43570 1/20 0.30

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
SCHEMBL16626840 0.93 FUT8 (0.39) FUT8MEN1THRBKMT2ACD40
SCHEMBL45600 0.93 FUT8 (0.44) FUT8CARM1PRMT1CHATUSP2
SCHEMBL16624668 0.91 FUT8 (0.45) FUT8CARM1PRMT1CHATUSP2
SCHEMBL13880709 0.91 FUT8 (0.42) FUT8CARM1PRMT1CHATUSP2
SCHEMBL15363309 0.88 FUT8 (0.40) FUT8CARM1PRMT1CHATUSP2
SCHEMBL16626844 0.85 FUT8 (0.37) FUT8CHATUSP2APEX1ENPP3
SCHEMBL9270771 0.85 FUT8 (0.48) FUT8CARM1PRMT1CHATUSP2
SCHEMBL9740928 0.85 FUT8 (0.48) FUT8CARM1PRMT1CHATUSP2
SCHEMBL13599483 0.83 FUT8 (0.36) FUT8CARM1PRMT1CHATUSP2
SCHEMBL13604230 0.83 FUT8 (0.36) FUT8CARM1PRMT1CHATUSP2

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-9193870-B2 Fibre-reactive dyes, their preparation and their use HUNTSMAN INTERNATIONAL LLC (US) 2015-11-24 — — US disclosed
US-20150096131-A1 Fibre-Reactive Dyes, Their Preparation and Their Use HUNTSMAN INTERNATIONAL LLC 2015-04-09 — — US disclosed
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