SCHEMBL9808910

SCHEMBL9808910

O=[N+]([O-])c1cc([S+]([O-])c2ccc(-c3ccccc3)cc2)ccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.48
▸ VCAM1 P19320 7/20 0.48
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ LMNA P02545 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ CRHBP P24387 1/20 0.44
▸ CRHR2 Q13324 1/20 0.44
▸ DHFR P00374 1/20 0.42
▸ PIN1 Q13526 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL9808913 0.92 VCAM1 (0.51) MAPTVCAM1MEN1KMT2ALMNA
SCHEMBL10505466 0.88 HSD17B10 (0.45) MAPTVCAM1MEN1KMT2ALMNA
SCHEMBL9808903 0.87 MAPT (0.43) MAPTVCAM1MEN1KMT2AALDH1A1
SCHEMBL23507272 0.84 TSHR (0.49) MAPTVCAM1MEN1KMT2AALDH1A1
SCHEMBL1897629 0.82 CRHBP (0.58) MAPTVCAM1MEN1KMT2ALMNA
SCHEMBL9808941 0.82 TDP1 (0.56) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL9808946 0.82 VCAM1 (0.45) MAPTVCAM1MEN1KMT2AALDH1A1
SCHEMBL9808949 0.82 VCAM1 (0.45) MAPTVCAM1MEN1KMT2AHTT
SCHEMBL10452555 0.78 PDE7A (0.50) MAPTVCAM1MEN1KMT2ALMNA
SCHEMBL10505223 0.76 VCAM1 (0.51) 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
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