SCHEMBL9800659

SCHEMBL9800659

CCCCS(=O)(=O)Nc1ccc(OCCc2ccc3ccccc3n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.56
CYSLTR1 Q9Y271 6/20 0.50
CYSLTR2 Q9NS75 5/20 0.50
GPBAR1 Q8TDU6 3/20 0.50
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
LMNA P02545 2/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PDE10A Q9Y233 1/20 0.40

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
SCHEMBL9447067 0.89 AR (0.64) ARCYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL9447007 0.79 CYSLTR1 (0.54) ARCYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL9447118 0.78 CYSLTR1 (0.66) CYSLTR1CYSLTR2GPBAR1NPC1LMNA
SCHEMBL9447043 0.77 AR (0.50) ARCYSLTR1CYSLTR2GPBAR1NPC1
SCHEMBL5385220 0.76 NPC1 (0.70) ARNPC1RAB9ACA12CA1
SCHEMBL9446959 0.74 AR (0.52) ARNPC1RAB9ALMNAHPGD
SCHEMBL9446978 0.74 CYSLTR1 (0.49) ARCYSLTR1CYSLTR2GPBAR1NPC1
SCHEMBL10544630 0.74 CYSLTR1 (0.84) CYSLTR1CYSLTR2GPBAR1LMNAHPGD
SCHEMBL9447014 0.73 CYSLTR1 (0.44) ARCYSLTR1CYSLTR2GPBAR1LMNA
SCHEMBL11431936 0.72 NPC1 (0.64) ARNPC1RAB9ACA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0261539-B1 SUBSTITUTED PHENYL-SULPHON AMIDES BAYER AG (DE) 1991-03-06 EP disclosed