SCHEMBL16626830

SCHEMBL16626830

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

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.45
▸ ENPP2 Q13822 6/20 0.42
▸ CYP1A2 P05177 2/20 0.38
▸ PRMT1 Q99873 1/20 0.38
▸ THRB P10828 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ CYP2C9 P11712 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ DNASE1L3 Q13609 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ CHAT P28329 4/20 0.33
▸ ENPP3 O14638 1/20 0.32
▸ ENPP1 P22413 1/20 0.32
▸ CD40 P25942 1/20 0.32
▸ CD40LG P29965 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ APEX1 P27695 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
SCHEMBL16626823 0.93 FUT8 (0.53) FUT8ENPP2CYP1A2PRMT1THRB
SCHEMBL16560657 0.86 FUT8 (0.44) FUT8ENPP2CYP1A2PRMT1THRB
SCHEMBL16626840 0.80 FUT8 (0.39) FUT8ENPP2THRBMEN1KMT2A
SCHEMBL16560640 0.80 FUT8 (0.53) FUT8ENPP2CYP1A2PRMT1THRB
SCHEMBL16560580 0.79 ENPP2 (0.44) FUT8ENPP2CYP1A2THRBMEN1
SCHEMBL16624647 0.78 FUT8 (0.54) FUT8ENPP2CYP1A2PRMT1THRB
SCHEMBL17929009 0.78 ENPP2 (0.52) FUT8ENPP2CYP1A2PRMT1THRB
SCHEMBL16626832 0.78 FUT8 (0.55) FUT8ENPP2CYP1A2PRMT1THRB
SCHEMBL12189775 0.78 FUT8 (0.60) FUT8ENPP2CYP1A2PRMT1THRB
SCHEMBL16560632 0.78 FUT8 (0.51) 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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