SCHEMBL10177417

SCHEMBL10177417

CS(=O)(=O)NCCS(=O)(=O)Nc1nc2ccccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
MAPK1 P28482 2/20 0.53
HSD17B10 Q99714 2/20 0.53
NPSR1 Q6W5P4 1/20 0.49
NOD1 Q9Y239 1/20 0.49
BCHE P06276 2/20 0.47
TRPC3 Q13507 1/20 0.47
TRPC4 Q9UBN4 1/20 0.47
TRPC5 Q9UL62 1/20 0.47
LMNA P02545 1/20 0.46
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
CYP3A4 P08684 1/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.42
ALOX12 P18054 1/20 0.42
NPC1 O15118 3/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
MAOB P27338 1/20 0.41

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
SCHEMBL10177419 0.83 ALDH1A1 (0.55) ALDH1A1MAPK1HSD17B10NPSR1NOD1
SCHEMBL30002927 0.81 ALDH1A1 (0.67) ALDH1A1MAPK1HSD17B10NPSR1NOD1
SCHEMBL4873251 0.81 ALDH1A1 (0.67) ALDH1A1MAPK1HSD17B10NPSR1NOD1
SCHEMBL14009913 0.72 ALDH1A1 (0.67) ALDH1A1MAPK1HSD17B10NPSR1NOD1
SCHEMBL2586949 0.71 ALDH1A1 (0.65) ALDH1A1MAPK1HSD17B10NPSR1NOD1
SCHEMBL2586952 0.71 ALDH1A1 (0.65) ALDH1A1MAPK1HSD17B10NPSR1NOD1
SCHEMBL989439 0.69 ALDH1A1 (0.54) ALDH1A1MAPK1HSD17B10NPSR1NOD1
SCHEMBL991498 0.68 ALOX12 (0.53) ALDH1A1MAPK1HSD17B10BCHETRPC3
SCHEMBL7080895 0.67 ALDH1A1 (0.62) ALDH1A1MAPK1HSD17B10NPSR1NOD1
SCHEMBL14638914 0.66 BCHE (0.67) ALDH1A1MAPK1HSD17B10BCHETRPC3

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
US-8110038-B2 Mixed crystal and colored pigment dispersion composition FUJIFILM CORPORATION (JP) 2012-02-07 US disclosed
US-20110023752-A1 MIXED CRYSTAL AND COLORED PIGMENT DISPERSION COMPOSITION FUJIFILM CORPORATION (JP) 2011-02-03 US disclosed