SCHEMBL9808985

SCHEMBL9808985

O=[N+]([O-])c1ccc(Cl)c([S+]([O-])c2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.51
PDE7A Q13946 3/20 0.47
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
LMNA P02545 3/20 0.46
MAPT P10636 3/20 0.46
TSHR P16473 2/20 0.46
RORC P51449 2/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
PKM P14618 1/20 0.46
NFKB1 P19838 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46
PPARG P37231 1/20 0.46
THPO P40225 1/20 0.46
MTOR P42345 1/20 0.46

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
SCHEMBL9808930 0.88 HSD17B10 (0.51) HSD17B10MEN1KMT2ALMNAMAPT
SCHEMBL10451347 0.83 MAPT (0.48) PDE7AMEN1KMT2ALMNAMAPT
SCHEMBL27612978 0.79 ALDH1A1 (0.48) MEN1KMT2ALMNAMAPTTSHR
SCHEMBL7920078 0.79 ALDH1A1 (0.53) HSD17B10MEN1KMT2ALMNAMAPT
SCHEMBL10507366 0.78 HSD17B10 (0.60) HSD17B10PDE7AMEN1KMT2ALMNA
SCHEMBL27599828 0.77 HSD17B10 (0.58) HSD17B10MEN1KMT2ALMNAMAPT
SCHEMBL16376473 0.77 HSD17B10 (0.58) HSD17B10PDE7AMEN1KMT2ALMNA
SCHEMBL2816722 0.76 ALDH1A1 (0.60) HSD17B10MEN1KMT2ALMNAMAPT
SCHEMBL9808964 0.74 HSD17B10 (0.50) HSD17B10PDE7AMEN1KMT2ALMNA
SCHEMBL9808986 0.73 CYP3A4 (0.42) HSD17B10LMNAMAPTTSHRTP53

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