SCHEMBL9808941

SCHEMBL9808941

Nc1ccc([S+]([O-])c2ccc(-c3ccccc3)cc2)cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.56
MAPT P10636 4/20 0.56
POLB P06746 4/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
ALDH1A1 P00352 3/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX15 P16050 1/20 0.47
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
KDM4E B2RXH2 1/20 0.40
VCP P55072 1/20 0.40
PKM P14618 1/20 0.39
GALR3 O60755 1/20 0.39
THRB P10828 1/20 0.39
MAPK1 P28482 2/20 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
SCHEMBL9808904 0.92 TDP1 (0.51) TDP1MAPTPOLBMEN1KMT2A
SCHEMBL9808896 0.87 TDP1 (0.54) TDP1MAPTPOLBMEN1KMT2A
SCHEMBL10451343 0.83 TDP1 (0.46) TDP1MAPTPOLBMEN1KMT2A
SCHEMBL653911 0.82 TDP1 (0.81) TDP1MAPTPOLBMEN1KMT2A
SCHEMBL30255693 0.82 TDP1 (0.81) TDP1MAPTPOLBMEN1KMT2A
SCHEMBL9808910 0.82 MAPT (0.48) TDP1MAPTMEN1KMT2AALDH1A1
SCHEMBL9808956 0.82 TDP1 (0.50) TDP1MAPTPOLBMEN1KMT2A
SCHEMBL10452130 0.82 TSHR (0.65) TDP1MAPTPOLBMEN1KMT2A
SCHEMBL10451346 0.82 TDP1 (0.50) TDP1MAPTPOLBMEN1KMT2A
SCHEMBL10451338 0.82 TDP1 (0.50) TDP1MAPTPOLBMEN1KMT2A

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