SCHEMBL9808913

SCHEMBL9808913

O=[N+]([O-])c1cc([S+]([O-])c2ccccc2)ccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 9/20 0.51
▸ MAPT P10636 2/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ ALDH1A1 P00352 1/20 0.42

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
SCHEMBL9808910 0.92 MAPT (0.48) VCAM1MAPTMEN1KMT2ALMNA
SCHEMBL23507272 0.89 TSHR (0.49) VCAM1MAPTMEN1KMT2AALDH1A1
SCHEMBL9808946 0.86 VCAM1 (0.45) VCAM1MAPTMEN1KMT2AALDH1A1
SCHEMBL9808949 0.86 VCAM1 (0.45) VCAM1MAPTMEN1KMT2AHTT
SCHEMBL10505466 0.83 HSD17B10 (0.45) VCAM1MAPTMEN1KMT2ALMNA
SCHEMBL10452555 0.82 PDE7A (0.50) VCAM1MAPTMEN1KMT2ALMNA
SCHEMBL9808903 0.82 MAPT (0.43) VCAM1MAPTMEN1KMT2AALDH1A1
SCHEMBL9808904 0.81 TDP1 (0.51) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL11197700 0.81 MAPK1 (0.50) MAPTMEN1KMT2ALMNAHTT
SCHEMBL10505223 0.80 VCAM1 (0.51) VCAM1

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