SCHEMBL13069596

SCHEMBL13069596

Nc1c(/N=N/c2ccc(S(=O)(=O)CCOS(=O)(=O)O)cc2S(=O)(=O)O)c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(O)c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.51
▸ PRMT1 Q99873 1/20 0.49
▸ THRB P10828 3/20 0.49
▸ CYP2C9 P11712 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ DNASE1L3 Q13609 1/20 0.46
▸ ENPP2 Q13822 5/20 0.45
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ HTT P42858 1/20 0.44
▸ PHLPP2 Q6ZVD8 2/20 0.39
▸ APEX1 P27695 1/20 0.39
▸ SUMO2 P61956 2/20 0.39
▸ SUMO1 P63165 2/20 0.39
▸ SENP7 Q9BQF6 2/20 0.39
▸ SENP2 Q9HC62 2/20 0.39
▸ SENP3 Q9H4L4 1/20 0.39
▸ SENP1 Q9P0U3 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ CD40 P25942 1/20 0.38

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
SCHEMBL16551869 0.90 THRB (0.60) CYP1A2PRMT1THRBCYP2C9MAPK1
SCHEMBL24157447 0.90 THRB (0.60) CYP1A2PRMT1THRBCYP2C9MAPK1
SCHEMBL7977352 0.89 THRB (0.62) CYP1A2PRMT1THRBCYP2C9MAPK1
SCHEMBL13069904 0.89 THRB (0.62) CYP1A2PRMT1THRBCYP2C9MAPK1
SCHEMBL12173000 0.87 ENPP2 (0.61) CYP1A2PRMT1THRBCYP2C9MAPK1
SCHEMBL14388749 0.86 THRB (0.67) CYP1A2PRMT1THRBCYP2C9MAPK1
SCHEMBL24157450 0.86 THRB (0.67) CYP1A2PRMT1THRBCYP2C9MAPK1
SCHEMBL24157451 0.86 THRB (0.67) CYP1A2PRMT1THRBCYP2C9MAPK1
SCHEMBL10978914 0.86 THRB (0.50) CYP1A2PRMT1THRBCYP2C9MAPK1
SCHEMBL16560657 0.85 FUT8 (0.44) CYP1A2PRMT1THRBCYP2C9MAPK1

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
EP-2035507-B1 DYE MIXTURES OF FIBRE-REACTIVE AZO DYES, PRODUCTION AND USE THEREOF DYSTAR COLOURS DEUTSCHLAND GMB (DE) 2010-11-17 — — EP disclosed
WO-2007147774-A2 DYE MIXTURES OF FIBRE-REACTIVE AZO DYES, PRODUCTION AND USE THEREOF DYSTAR TEXTILFARBEN GMBH & CO DEUTSCHLAND KG (DE) 2007-12-27 — — WO disclosed
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