SCHEMBL9808930

SCHEMBL9808930

O=[N+]([O-])c1ccc(Cl)c([S+]([O-])c2ccc(Cl)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.51
VCAM1 P19320 1/20 0.44
ALDH1A1 P00352 4/20 0.42
TDP1 Q9NUW8 2/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40
KMT2A Q03164 3/20 0.40
IDO1 P14902 1/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
NPBWR1 P48145 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL9808985 0.88 HSD17B10 (0.51) HSD17B10VCAM1ALDH1A1TDP1CYP1A2
SCHEMBL10507366 0.78 HSD17B10 (0.60) HSD17B10VCAM1ALDH1A1TDP1CYP1A2
SCHEMBL27599828 0.77 HSD17B10 (0.58) HSD17B10VCAM1ALDH1A1TDP1CYP1A2
SCHEMBL16376473 0.77 HSD17B10 (0.58) HSD17B10VCAM1ALDH1A1TDP1KMT2A
SCHEMBL9808973 0.75 HSD17B10 (0.51) HSD17B10VCAM1ALDH1A1TDP1KMT2A
SCHEMBL23507272 0.74 TSHR (0.49) VCAM1ALDH1A1TDP1KMT2AMEN1
SCHEMBL28257873 0.73 CYP1A2 (0.64) HSD17B10ALDH1A1TDP1CYP1A2CYP2C9
SCHEMBL10452388 0.73 HSD17B10 (0.49) HSD17B10VCAM1ALDH1A1TDP1CYP1A2
SCHEMBL29359062 0.72 TP53 (0.36) KMT2AMEN1LMNA
SCHEMBL10507359 0.72 CYP1A2 (0.58) HSD17B10ALDH1A1TDP1CYP1A2CYP2C9

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 3 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-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