SCHEMBL16626831

SCHEMBL16626831

CCn1c(O)c(/N=N/c2ccc(Nc3nc(Cl)nc(Nc4cc(S(=O)(=O)CCOS(=O)(=O)O)cc(S(=O)(=O)O)c4O)n3)cc2S(=O)(=O)O)c(C)c(C(N)=O)c1=O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.40
▸ CHAT P28329 3/20 0.32
▸ USP2 O75604 1/20 0.32
▸ APEX1 P27695 1/20 0.32
▸ ENPP3 O14638 1/20 0.32
▸ ENPP1 P22413 1/20 0.32
▸ CARM1 Q86X55 1/20 0.31
▸ PRMT1 Q99873 1/20 0.31
▸ HPGDS O60760 1/20 0.30
▸ P2RX7 Q99572 1/20 0.30
▸ P2RX2 Q9UBL9 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
SCHEMBL16626829 0.95 FUT8 (0.40) FUT8CHATUSP2APEX1ENPP3
SCHEMBL12053415 0.88 FUT8 (0.38) FUT8CHATUSP2APEX1CARM1
SCHEMBL16626828 0.85 FUT8 (0.40) FUT8CHATENPP3ENPP1CARM1
SCHEMBL20390575 0.80 FUT8 (0.40) FUT8CHATUSP2APEX1ENPP3
SCHEMBL16624668 0.79 FUT8 (0.45) FUT8CHATUSP2APEX1ENPP3
SCHEMBL16624663 0.79 FUT8 (0.45) FUT8CHATUSP2APEX1ENPP3
SCHEMBL12173082 0.79 FUT8 (0.38) FUT8CHATUSP2APEX1ENPP3
SCHEMBL12646575 0.79 FUT8 (0.38) FUT8CHATUSP2APEX1ENPP3
SCHEMBL12173125 0.78 FUT8 (0.35) FUT8HPGDS
SCHEMBL13599568 0.78 FUT8 (0.39) FUT8CHATUSP2APEX1CARM1

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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