SCHEMBL16624663

SCHEMBL16624663

O=S(=O)(O)OCCS(=O)(=O)c1cc(/N=N/c2cc(/N=N/c3ccc(Nc4nc(Cl)nc(Nc5cc(S(=O)(=O)CCOS(=O)(=O)O)cc(S(=O)(=O)O)c5O)n4)cc3S(=O)(=O)O)c(O)cc2O)c(O)c(S(=O)(=O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.45
▸ CHAT P28329 3/20 0.36
▸ USP2 O75604 1/20 0.36
▸ APEX1 P27695 1/20 0.36
▸ NSD2 O96028 1/20 0.35
▸ MMP14 P50281 1/20 0.35
▸ CASP6 P55212 1/20 0.35
▸ ENPP3 O14638 1/20 0.35
▸ ENPP1 P22413 1/20 0.35
▸ HPGDS O60760 1/20 0.34
▸ P2RX7 Q99572 2/20 0.33
▸ P2RX2 Q9UBL9 2/20 0.33
▸ CA9 Q16790 10/20 0.32
▸ CA12 O43570 9/20 0.32
▸ CA1 P00915 9/20 0.32
▸ CA2 P00918 9/20 0.32
▸ CA14 Q9ULX7 4/20 0.32
▸ CA5A P35218 1/20 0.32
▸ CA5B Q9Y2D0 1/20 0.32
▸ CARM1 Q86X55 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
SCHEMBL16624668 0.85 FUT8 (0.45) FUT8CHATUSP2APEX1ENPP3
SCHEMBL16626823 0.84 FUT8 (0.53) FUT8CHATUSP2APEX1ENPP3
SCHEMBL16624647 0.81 FUT8 (0.54) FUT8CHATUSP2APEX1ENPP3
SCHEMBL16624659 0.80 FUT8 (0.39) FUT8CHATUSP2APEX1CA9
SCHEMBL16626824 0.80 FUT8 (0.46) FUT8CHATUSP2APEX1ENPP3
SCHEMBL16626831 0.79 FUT8 (0.40) FUT8CHATUSP2APEX1ENPP3
SCHEMBL16624650 0.79 FUT8 (0.44) FUT8CARM1PRMT1ALDH1A1TDP1
SCHEMBL16624642 0.78 FUT8 (0.51) FUT8CARM1PRMT1ALDH1A1TDP1
SCHEMBL16626839 0.78 FUT8 (0.37) FUT8P2RX7P2RX2CA2PRMT1
SCHEMBL16626832 0.77 FUT8 (0.55) FUT8CHATUSP2APEX1ENPP3

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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