SCHEMBL13366837

SCHEMBL13366837

Cc1cc(/N=N/c2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)c(/N=N/c4cc(Nc5cc(F)nc(F)n5)ccc4S(=O)(=O)O)c(O)c3c2N)c(S(=O)(=O)O)cc1F

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ENPP2 Q13822 10/20 0.39
▸ FUT8 Q9BYC5 1/20 0.38
▸ CYP1A2 P05177 2/20 0.37
▸ PHLPP2 Q6ZVD8 1/20 0.36
▸ PRMT1 Q99873 1/20 0.35
▸ THRB P10828 1/20 0.34
▸ USP2 O75604 1/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ DNASE1L3 Q13609 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
SCHEMBL13366714 0.90 ENPP2 (0.41) MEN1HTTKMT2AENPP2FUT8
SCHEMBL13366843 0.89 ENPP2 (0.43) MEN1HTTKMT2AENPP2FUT8
SCHEMBL13366854 0.87 ENPP2 (0.38) MEN1HTTKMT2AENPP2FUT8
SCHEMBL14388755 0.81 THRB (0.54) MEN1HTTKMT2AENPP2FUT8
SCHEMBL13366713 0.79 FUT8 (0.47) MEN1HTTKMT2AENPP2FUT8
SCHEMBL14271167 0.78 ENPP2 (0.51) MEN1HTTKMT2AENPP2FUT8
SCHEMBL13366835 0.78 ENPP2 (0.49) MEN1HTTKMT2AENPP2CYP1A2
SCHEMBL14271166 0.77 ENPP2 (0.50) MEN1HTTKMT2AENPP2FUT8
SCHEMBL14045325 0.74 FUT8 (0.60) MEN1HTTKMT2AENPP2FUT8
SCHEMBL12053453 0.74 THRB (0.46) ENPP2FUT8PHLPP2THRB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010057830-A1 RING FLUORINATED REACTIVE DYES DYSTAR COLOURS DEUTSCHLAND GMBH (DE) 2010-05-27 — — WO disclosed
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