SCHEMBL4567501

SCHEMBL4567501

Cc1ccc(SCCCS(=O)(=O)O)c(N)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SLC6A4 P31645 7/20 0.41
SLC6A2 P23975 6/20 0.41
SLC6A3 Q01959 6/20 0.41
ALOX15 P16050 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 3/20 0.39
CA2 P00918 5/20 0.36
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
THRB P10828 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL12781112 0.82 MEN1 (0.46) SLC6A4SLC6A2SLC6A3ALOX15ALDH1A1
SCHEMBL4571242 0.82 HPGD (0.47) SLC6A4SLC6A2SLC6A3ALDH1A1HSD17B10
SCHEMBL4567512 0.81 SLC6A2 (0.41) SLC6A4SLC6A2SLC6A3CA2MEN1
SCHEMBL4571191 0.79 TDP1 (0.44) NPC1RAB9AALDH1A1TDP1CA2
SCHEMBL4567502 0.78 CA2 (0.53) SLC6A4SLC6A2SLC6A3ALDH1A1TDP1
SCHEMBL8285547 0.76 NPC1 (0.50) NPC1RAB9ASLC6A4SLC6A2SLC6A3
SCHEMBL13431943 0.74 ALDH1A1 (0.51) NPC1RAB9AALDH1A1CA2CYP3A4
SCHEMBL14286925 0.72 L3MBTL1 (0.43) ALOX15ALDH1A1HSD17B10TDP1TP53
SCHEMBL1485984 0.72 ALDH1A1 (0.46) NPC1RAB9ASLC6A4SLC6A2SLC6A3
SCHEMBL1802402 0.71 ALDH1A1 (0.45) NPC1RAB9ASLC6A4SLC6A2SLC6A3

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