SCHEMBL2466211

SCHEMBL2466211

CC(=O)Nc1cc(N)c(S(=O)(=O)O)cc1N=Nc1ccccc1S(=O)(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ HTT P42858 1/20 0.45
▸ ENPP2 Q13822 1/20 0.43
▸ SENP2 Q9HC62 4/20 0.43
▸ SENP1 Q9P0U3 4/20 0.43
▸ SUMO2 P61956 3/20 0.43
▸ SUMO1 P63165 3/20 0.43
▸ SENP7 Q9BQF6 3/20 0.43
▸ SENP3 Q9H4L4 2/20 0.43
▸ HDAC3 O15379 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ PHLPP2 Q6ZVD8 1/20 0.40
▸ CASP6 P55212 1/20 0.40
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ APP P05067 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ HPGD P15428 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
SCHEMBL4335590 0.85 ENPP2 (0.51) MAPTNPC1HTTENPP2SENP2
SCHEMBL4335578 0.85 ENPP2 (0.51) MAPTNPC1HTTENPP2SENP2
SCHEMBL13599497 0.83 ENPP2 (0.53) MAPTNPC1HTTENPP2SENP2
SCHEMBL10535182 0.76 NPC1 (0.44) MAPTNPC1ENPP2HDAC3HDAC1
SCHEMBL13880623 0.75 ENPP2 (0.49) MAPTNPC1HTTENPP2SENP2
SCHEMBL13793399 0.75 ENPP2 (0.49) MAPTNPC1HTTENPP2SENP2
SCHEMBL11425279 0.74 ALDH1A1 (0.44) MAPTNPC1ENPP2SENP2SENP1
SCHEMBL8019428 0.74 CYP3A4 (0.46) MAPTNPC1HTTENPP2HDAC3
SCHEMBL1939964 0.73 NPC1 (0.44) MAPTNPC1ENPP2HDAC3HDAC1
SCHEMBL5888425 0.73 GAA (0.59) MAPTNPC1SENP2SENP1SUMO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2079805-B1 MONOAZO COLORANTS FOR MASS-COLOURING OF POLYMERS BASF SE (DE) 2012-08-01 — — EP disclosed
US-8013045-B2 Monoazo colorants for mass-colouring of polymers BASF SE Ludwigshafen (DE) 2011-09-06 — — US disclosed
US-20100305247-A1 MONOAZO COLORANTS FOR MASS-COLOURING OF POLYMERS CIBA CORP. 2010-12-02 — — US disclosed
US-20100168291-A1 MONOAZO COLORANTS FOR MASS-COLOURING OF POLYMERS CIBA CORPORATION (US) 2010-07-01 — — US disclosed
EP-2079805-A1 MONOAZO COLORANTS FOR MASS-COLOURING OF POLYMERS Ciba Holding Inc. (CH) 2009-07-22 — — EP disclosed
WO-2008049744-A1 MONOAZO COLORANTS FOR MASS-COLOURING OF POLYMERS CIBA HOLDING INC. (CH) 2008-05-02 — — WO disclosed
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