SCHEMBL9808949

SCHEMBL9808949

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

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 10/20 0.45
TDP1 Q9NUW8 2/20 0.42
ATM Q13315 1/20 0.42
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
CXCR2 P25025 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
NPBWR1 P48145 1/20 0.38
MCHR1 Q99705 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
SCHEMBL23507272 0.87 TSHR (0.49) VCAM1TDP1ALDH1A1MEN1MAPT
SCHEMBL9808913 0.86 VCAM1 (0.51) VCAM1ALDH1A1MEN1MAPTKMT2A
SCHEMBL9808946 0.84 VCAM1 (0.45) VCAM1TDP1ALDH1A1MEN1MAPT
SCHEMBL10505466 0.82 HSD17B10 (0.45) VCAM1TDP1ALDH1A1MEN1MAPT
SCHEMBL9808910 0.82 MAPT (0.48) VCAM1TDP1ALDH1A1MEN1MAPT
SCHEMBL10451338 0.81 TDP1 (0.50) TDP1ATMALDH1A1MEN1MAPT
SCHEMBL9808903 0.81 MAPT (0.43) VCAM1TDP1ALDH1A1MEN1MAPT
SCHEMBL10452555 0.81 PDE7A (0.50) VCAM1TDP1MEN1MAPTKMT2A
SCHEMBL29563244 0.79 TDP1 (0.59) VCAM1TDP1ATMALDH1A1TSHR
SCHEMBL687212 0.79 TDP1 (0.59) VCAM1TDP1ATMALDH1A1TSHR

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