SCHEMBL12136693

SCHEMBL12136693

C=CS(=O)(=O)c1cccc(Nc2nc(Cl)nc(Nc3cc(S(=O)(=O)O)cc4cc(SOOO)c(/N=N/c5cc(Nc6nc(Cl)nc(Nc7cc(S(=O)(=O)O)cc8cc(SOOO)c(/N=N/c9ccccc9S(=O)(=O)O)c(O)c78)n6)ccc5S(=O)(=O)O)c(O)c34)n2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.63
▸ CHAT P28329 3/20 0.38
▸ ENPP3 O14638 1/20 0.38
▸ ENPP1 P22413 1/20 0.38
▸ MEN1 O00255 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ PRMT1 Q99873 3/20 0.35
▸ CYP1A2 P05177 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ DNASE1L3 Q13609 1/20 0.34
▸ ENPP2 Q13822 2/20 0.34
▸ USP2 O75604 1/20 0.33
▸ APEX1 P27695 1/20 0.33
▸ CA12 O43570 3/20 0.32
▸ CA1 P00915 3/20 0.32
▸ CA2 P00918 3/20 0.32
▸ CA9 Q16790 3/20 0.32
▸ HPGDS O60760 1/20 0.31

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
SCHEMBL14500860 0.90 FUT8 (0.74) FUT8CHATENPP3ENPP1MEN1
SCHEMBL13599534 0.87 FUT8 (0.60) FUT8CHATENPP3ENPP1MEN1
SCHEMBL12589891 0.84 FUT8 (0.65) FUT8CHATMEN1THRBKMT2A
SCHEMBL13815211 0.84 FUT8 (0.74) FUT8CHATENPP3ENPP1MEN1
SCHEMBL13991090 0.83 FUT8 (0.62) FUT8CHATENPP3ENPP1MEN1
SCHEMBL12136688 0.82 FUT8 (0.50) FUT8CHATENPP3ENPP1MEN1
SCHEMBL13991106 0.81 FUT8 (0.59) FUT8MEN1THRBKMT2APRMT1
SCHEMBL14020373 0.81 FUT8 (0.52) FUT8CHATPRMT1ENPP2USP2
SCHEMBL13815201 0.80 FUT8 (0.58) FUT8MEN1THRBKMT2APRMT1
SCHEMBL12589892 0.80 FUT8 (0.58) FUT8MEN1THRBKMT2APRMT1

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-8066809-B2 Red reactive dyes, their preparation and their use HUNTSMAN INTERNATIONAL LLC (US) 2011-11-29 — — US disclosed
US-20100159140-A1 RED REACTIVE DYES, THEIR PREPARATION AND THEIR USE HUNTSMAN INTERNATIONAL LLC (US) 2010-06-24 — — US disclosed
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