SCHEMBL9808928

SCHEMBL9808928

CSc1ccc([S+]([O-])c2ccc(SC)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 6/20 0.51
TDP1 Q9NUW8 4/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
POLB P06746 2/20 0.51
TSHR P16473 2/20 0.42
ALDH1A1 P00352 4/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
PGR P06401 1/20 0.38
GALR3 O60755 1/20 0.37
THRB P10828 1/20 0.37
PKM P14618 1/20 0.37
LMNA P02545 1/20 0.37
GSK3B P49841 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
DHFR P00374 1/20 0.33

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
SCHEMBL10451414 0.85 DHFR (0.43) MAPTTDP1MEN1KMT2AALDH1A1
SCHEMBL9808906 0.83 TSHR (0.60) MAPTTDP1MEN1KMT2APOLB
SCHEMBL9808897 0.83 MEN1 (0.38) TDP1MEN1KMT2A
SCHEMBL9808951 0.81 TDP1 (0.55) MAPTTDP1MEN1KMT2APOLB
SCHEMBL9808937 0.81 MAPT (0.55) MAPTTDP1MEN1KMT2APOLB
SCHEMBL10452550 0.81 TDP1 (0.55) MAPTTDP1MEN1KMT2APOLB
SCHEMBL9808940 0.80 MAPT (0.51) MAPTTDP1MEN1KMT2APOLB
SCHEMBL6674367 0.79 TSHR (0.59) MAPTTDP1MEN1KMT2APOLB
SCHEMBL10507049 0.75 TSHR (0.47) MAPTTDP1MEN1KMT2APOLB
SCHEMBL29409289 0.71 MAPT (1.00) MAPTTDP1MEN1KMT2APOLB

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