SCHEMBL9808940

SCHEMBL9808940

COc1ccc([S+]([O-])c2ccc(OC)cc2-c2ccc(N)c([N+](=O)[O-])c2)c(-c2ccc(N)c([N+](=O)[O-])c2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.51
KMT2A Q03164 4/20 0.51
TDP1 Q9NUW8 3/20 0.51
MEN1 O00255 3/20 0.51
POLB P06746 2/20 0.51
ALDH1A1 P00352 5/20 0.46
HTT P42858 2/20 0.46
GAA P10253 2/20 0.46
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TSHR P16473 1/20 0.42
HTR7 P34969 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
MAPK1 P28482 2/20 0.39
PGR P06401 1/20 0.38
PKM P14618 2/20 0.37
GALR3 O60755 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL9808938 0.85 ALDH1A1 (0.50) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL9808906 0.83 TSHR (0.60) MAPTKMT2ATDP1MEN1POLB
SCHEMBL9808954 0.83 CYP3A4 (0.41) MAPTKMT2ATDP1MEN1ALDH1A1
SCHEMBL9808937 0.81 MAPT (0.55) MAPTKMT2ATDP1MEN1POLB
SCHEMBL29655083 0.81 TDP1 (0.55) MAPTKMT2ATDP1MEN1POLB
SCHEMBL10452550 0.81 TDP1 (0.55) MAPTKMT2ATDP1MEN1POLB
SCHEMBL9808951 0.81 TDP1 (0.55) MAPTKMT2ATDP1MEN1POLB
SCHEMBL9808928 0.80 MAPT (0.51) MAPTKMT2ATDP1MEN1POLB
SCHEMBL717794 0.80 MAPT (0.71) MAPTKMT2ATDP1MEN1POLB
SCHEMBL29655119 0.80 MAPT (0.54) MAPTKMT2ATDP1MEN1POLB

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 4 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-4956007-A Nitraminodiaryl sulfoxide derivatives, process for their preparation and pharmaceutical and pesticidal compositions containing them RICHTER GEDEON VEGYESZETI GYOR RT. (HU) 1990-09-11 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