SCHEMBL4979258

SCHEMBL4979258

NS(=O)(=O)c1cccc2cccc(C3CCCc4ccccc43)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GID4 Q8IVV7 1/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 1/20 0.41
ADRA2A P08913 2/20 0.40
ADRA1A P35348 2/20 0.40
CYP2D6 P10635 2/20 0.40
IDO1 P14902 2/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1B P35368 1/20 0.40
HTR1A P08908 1/20 0.40
OPRM1 P35372 1/20 0.40
PTPN7 P35236 1/20 0.40
MAPK1 P28482 1/20 0.39
MAPK14 Q16539 1/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL485380 0.87 CA1 (0.45) GID4CA1CA2ADRA2AADRA1A
SCHEMBL4969177 0.82 ALDH1A1 (0.42) GID4CA1CA2ADRA2AADRA1A
SCHEMBL307442 0.75 ALDH1A1 (0.46) GID4ADRA2AADRA1ACYP2D6IDO1
SCHEMBL11676259 0.73 ALDH1A1 (0.49) GID4ADRA2AADRA1ACYP2D6IDO1
SCHEMBL29625707 0.73 ALDH1A1 (0.49) GID4ADRA2AADRA1ACYP2D6IDO1
SCHEMBL8355915 0.73 GID4 (0.56) GID4CA1CA2CA9ADRA2A
Ammonia Solution, Strong SCHEMBL27946685 0.72 ALDH1A1 (0.48) GID4ADRA2AADRA1ACYP2D6IDO1
SCHEMBL29209214 0.71 GID4 (0.50) GID4ADRA2AADRA1ACYP2D6IDO1
SCHEMBL30186198 0.71 GID4 (0.50) GID4ADRA2AADRA1ACYP2D6IDO1
SCHEMBL29853558 0.70 GID4 (0.52) GID4ADRA2AADRA1ACYP2D6IDO1

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
EP-1888517-A1 NOVEL 8-SULFONYLAMINO-3 AMINOSUBSTITUTED CHROMAN OR TETRAHYDRONAPHTALENE DERIVATIVES MODULATING THE 5HT6 RECEPTOR AstraZeneca AB (SE) 2008-02-20 EP disclosed
WO-2006126939-A1 NOVEL 8-SULFONYLAMINO-3 AMINOSUBSTITUTED CHROMAN OR TETRAHYDRONAPHTALENE DERIVATIVES MODULATING THE 5HT6 RECEPTOR ASTRAZENECA AB (SE) 2006-11-30 WO disclosed