SCHEMBL4567502

SCHEMBL4567502

Cc1ccc(SCCCS(=O)(=O)O)c([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.53
ALDH1A1 P00352 5/20 0.44
MAPT P10636 4/20 0.44
TSHR P16473 2/20 0.44
CYP3A4 P08684 1/20 0.44
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
APEX1 P27695 1/20 0.39
GAA P10253 2/20 0.39
KAT2B Q92831 1/20 0.39
GSTP1 P09211 1/20 0.38
GSTM2 P28161 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTT P42858 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
SCHEMBL12781110 0.84 CA2 (0.53) CA2ALDH1A1MAPTTSHR
SCHEMBL12845176 0.84 CA2 (0.50) CA2ALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL12781104 0.83 CA2 (0.55) CA2ALDH1A1MAPTCYP3A4APEX1
SCHEMBL4571190 0.81 THRB (0.50) CA2ALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL8285548 0.80 CA2 (0.63) CA2ALDH1A1MAPTTSHRCYP3A4
SCHEMBL1369742 0.79 TSHR (0.53) CA2ALDH1A1MAPTTSHRCYP3A4
SCHEMBL4567501 0.78 NPC1 (0.41) CA2ALDH1A1CYP3A4SLC6A2SLC6A4
SCHEMBL15801080 0.77 ALDH1A1 (0.72) CA2ALDH1A1MAPTTSHRCYP3A4
SCHEMBL12781087 0.75 ALDH1A1 (0.59) ALDH1A1MAPTSMN1; SMN2GAAHTT
SCHEMBL11261243 0.73 APEX1 (0.69) ALDH1A1MAPTTSHRCYP3A4SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8556406-B2 Coloring matter consisting of trisazo compound, ink compositions, recording method, and colored body NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-10-15 US disclosed
US-8556406-B2 Coloring matter consisting of trisazo compound, ink compositions, recording method, and colored body NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-10-15 US disclosed
US-20120120148-A1 COLORING MATTER CONSISTING OF TRISAZO COMPOUND, INK COMPOSITIONS, RECORDING METHOD, AND COLORED BODY NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2012-05-17 US disclosed
US-20120120148-A1 COLORING MATTER CONSISTING OF TRISAZO COMPOUND, INK COMPOSITIONS, RECORDING METHOD, AND COLORED BODY NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2012-05-17 US disclosed
US-20110050787-A1 TRISAZO COMPOUND, INK COMPOSITION, RECORDING METHOD AND COLORED BODY NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-03-03 US disclosed