SCHEMBL16626823

SCHEMBL16626823

Nc1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(O)c2c1/N=N/c1ccc(Nc2nc(Cl)nc(Nc3cc(S(=O)(=O)CCOS(=O)(=O)O)cc(S(=O)(=O)O)c3O)n2)cc1S(=O)(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.53
▸ ENPP2 Q13822 5/20 0.42
▸ CHAT P28329 4/20 0.39
▸ ENPP3 O14638 1/20 0.39
▸ ENPP1 P22413 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ APEX1 P27695 1/20 0.39
▸ CYP1A2 P05177 2/20 0.38
▸ PRMT1 Q99873 2/20 0.38
▸ THRB P10828 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ HPGDS O60760 1/20 0.35
▸ P2RX7 Q99572 1/20 0.35
▸ P2RX2 Q9UBL9 1/20 0.35
▸ CYP2C9 P11712 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ DNASE1L3 Q13609 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ CARM1 Q86X55 1/20 0.33

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
SCHEMBL16626830 0.93 FUT8 (0.45) FUT8ENPP2CHATENPP3ENPP1
SCHEMBL16560640 0.86 FUT8 (0.53) FUT8ENPP2CHATENPP3ENPP1
SCHEMBL12189775 0.85 FUT8 (0.60) FUT8ENPP2CHATENPP3ENPP1
SCHEMBL16624647 0.85 FUT8 (0.54) FUT8ENPP2CHATENPP3ENPP1
SCHEMBL16626832 0.85 FUT8 (0.55) FUT8ENPP2CHATENPP3ENPP1
SCHEMBL16560632 0.85 FUT8 (0.51) FUT8ENPP2CHATENPP3ENPP1
SCHEMBL14038348 0.84 FUT8 (0.57) FUT8ENPP2CHATENPP3ENPP1
SCHEMBL16624663 0.84 FUT8 (0.45) FUT8CHATENPP3ENPP1USP2
SCHEMBL13483285 0.83 FUT8 (0.42) FUT8ENPP2CHATENPP3ENPP1
SCHEMBL16624669 0.81 FUT8 (0.73) FUT8ENPP2CYP1A2PRMT1THRB

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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