SCHEMBL16624649

SCHEMBL16624649

Nc1c(/N=N/c2ccc(S(=O)(=O)CCOS(=O)(=O)O)cc2)c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(/N=N/c3cc(Nc4nc(Cl)nc(Nc5cc(S(=O)(=O)CCOS(=O)(=O)O)cc(S(=O)(=O)O)c5O)n4)ccc3S(=O)(=O)O)c(O)c12

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.52
▸ THRB P10828 1/20 0.49
▸ PRMT1 Q99873 2/20 0.39
▸ CARM1 Q86X55 1/20 0.39
▸ ENPP2 Q13822 6/20 0.38
▸ CHAT P28329 3/20 0.35
▸ USP2 O75604 1/20 0.35
▸ APEX1 P27695 1/20 0.35
▸ ENPP3 O14638 1/20 0.33
▸ ENPP1 P22413 1/20 0.33
▸ CD40 P25942 1/20 0.33
▸ CD40LG P29965 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA3 P07451 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ PHLPP2 Q6ZVD8 1/20 0.33
▸ HPGDS O60760 1/20 0.32
▸ P2RX7 Q99572 1/20 0.32
▸ P2RX2 Q9UBL9 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
SCHEMBL16626832 0.96 FUT8 (0.55) FUT8THRBPRMT1CARM1ENPP2
SCHEMBL16624647 0.95 FUT8 (0.54) FUT8THRBPRMT1CARM1ENPP2
SCHEMBL14388939 0.93 THRB (0.55) FUT8THRBPRMT1CARM1ENPP2
SCHEMBL14514299 0.90 FUT8 (0.54) FUT8THRBPRMT1CARM1ENPP2
SCHEMBL16664577 0.89 FUT8 (0.51) FUT8THRBPRMT1CARM1ENPP2
SCHEMBL14388839 0.87 THRB (0.56) FUT8THRBPRMT1CARM1ENPP2
SCHEMBL14038414 0.86 THRB (0.46) FUT8THRBPRMT1CARM1ENPP2
SCHEMBL12053489 0.86 THRB (0.46) FUT8THRBPRMT1CARM1ENPP2
SCHEMBL16624644 0.86 FUT8 (0.58) FUT8THRBPRMT1CARM1ENPP2
SCHEMBL12053476 0.85 THRB (0.46) FUT8THRBPRMT1CARM1ENPP2

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 4 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-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
US-20150096131-A1 Fibre-Reactive Dyes, Their Preparation and Their Use HUNTSMAN INTERNATIONAL LLC 2015-04-09 — — US disclosed
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