SCHEMBL9808976

SCHEMBL9808976

CN(C)c1ccc([S+]([O-])c2ccccc2)cc1N

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
CHEK1 O14757 1/20 0.41
NEK2 P51955 1/20 0.41
LIMK1 P53667 1/20 0.41
DYRK1A Q13627 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
PABPC1 P11940 1/20 0.36
MEN1 O00255 1/20 0.31

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
SCHEMBL9808892 0.78 ALOX15 (0.36) GAAKMT2AMAPTMEN1
SCHEMBL9808967 0.75 HCAR3 (0.52) GAAKMT2AMAPTMAPK1MEN1
SCHEMBL11195200 0.74 ALDH1A1 (0.48) GAAKMT2AMAPTMAPK1CHEK1
SCHEMBL9808922 0.74 TSHR (0.42) GAAKMT2AMAPTMEN1
SCHEMBL9808918 0.73 ALDH1A1 (0.46) GAAKMT2AMAPTMEN1
SCHEMBL31052980 0.72 ALDH1A1 (0.48) GAAKMT2AMAPTMAPK1MEN1
SCHEMBL12336893 0.71 TDP1 (0.35)
SCHEMBL9808934 0.70 MEN1 (0.41) GAAKMT2AMAPTMEN1
SCHEMBL9808943 0.70 GAA (0.48) GAAKMT2AMAPTMEN1
SCHEMBL5549480 0.69 TSHR (0.48) GAAKMT2AMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4985463-A Aminodiaryl sulfoxide derivatives, process for their preparation and pharmaceutical and pesticidal compositions containing them RICHTER GEDEON VEGYESZETI GYAR RT (HU) 1991-01-15 US disclosed
US-4831194-A Process for the preparation of nitrodiaryl sulfoxides RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1989-05-16 US disclosed
US-4710323-A Nitrodiaryl sulfoxide derivatives, process for their preparation and pharmaceutical and pesticidal compositions containing them as active ingredient RICHTER GEDEON VEGYESZETI GYAR RT (HU) 1987-12-01 US disclosed