SCHEMBL9808903

SCHEMBL9808903

O=[N+]([O-])c1cc([S+]([O-])c2ccc(-c3ccc(Br)cc3)cc2)ccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ VCAM1 P19320 10/20 0.42
▸ DHFR P00374 1/20 0.41
▸ NCOA1 Q15788 1/20 0.38
▸ NCOA3 Q9Y6Q9 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ TDP1 Q9NUW8 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
SCHEMBL9808946 0.96 VCAM1 (0.45) MAPTMEN1ALDH1A1KMT2AVCAM1
SCHEMBL10505466 0.87 HSD17B10 (0.45) MAPTMEN1ALDH1A1KMT2AVCAM1
SCHEMBL9808910 0.87 MAPT (0.48) MAPTMEN1ALDH1A1KMT2AVCAM1
SCHEMBL23507272 0.83 TSHR (0.49) MAPTMEN1ALDH1A1KMT2AVCAM1
SCHEMBL9808896 0.83 TDP1 (0.54) MAPTMEN1ALDH1A1KMT2ATDP1
SCHEMBL9808913 0.82 VCAM1 (0.51) MAPTMEN1ALDH1A1KMT2AVCAM1
SCHEMBL9808949 0.81 VCAM1 (0.45) MAPTMEN1ALDH1A1KMT2AVCAM1
SCHEMBL9808956 0.78 TDP1 (0.50) MAPTMEN1ALDH1A1KMT2ATDP1
SCHEMBL10452555 0.77 PDE7A (0.50) MAPTMEN1KMT2AVCAM1TDP1
SCHEMBL2873685 0.76 VCAM1 (0.56) VCAM1TDP1

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
Send feedback