SCHEMBL9808946

SCHEMBL9808946

O=[N+]([O-])c1cc([S+]([O-])c2ccc(Br)cc2)ccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 12/20 0.45
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
NPBWR1 P48145 1/20 0.38
MCHR1 Q99705 1/20 0.38
DHFR P00374 1/20 0.38

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
SCHEMBL9808903 0.96 MAPT (0.43) VCAM1MAPTMEN1ALDH1A1KMT2A
SCHEMBL23507272 0.87 TSHR (0.49) VCAM1MAPTMEN1ALDH1A1KMT2A
SCHEMBL9808913 0.86 VCAM1 (0.51) VCAM1MAPTMEN1ALDH1A1KMT2A
SCHEMBL9808949 0.84 VCAM1 (0.45) VCAM1MAPTMEN1ALDH1A1KMT2A
SCHEMBL9808910 0.82 MAPT (0.48) VCAM1MAPTMEN1ALDH1A1KMT2A
SCHEMBL10505466 0.82 HSD17B10 (0.45) VCAM1MAPTMEN1ALDH1A1KMT2A
SCHEMBL9808956 0.81 TDP1 (0.50) MAPTMEN1ALDH1A1KMT2ATDP1
SCHEMBL10452555 0.81 PDE7A (0.50) VCAM1MAPTMEN1KMT2ATDP1
SCHEMBL2873685 0.79 VCAM1 (0.56) VCAM1TDP1TSHRMAPK1NPBWR1
SCHEMBL30955236 0.79 VCAM1 (0.56) VCAM1TDP1TSHRMAPK1NPBWR1

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