SCHEMBL9808964

SCHEMBL9808964

O=[N+]([O-])c1ccc(Cl)c(-c2ccccc2[S+]([O-])c2ccccc2-c2cc([N+](=O)[O-])ccc2Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.50
PTPRC P08575 3/20 0.47
S100A4 P26447 2/20 0.47
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
CES1 P23141 1/20 0.47
NPBWR1 P48145 1/20 0.45
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
ADRA1A P35348 1/20 0.43
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
GABRA4 P48169 1/20 0.43
GABRE P78334 1/20 0.43

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
SCHEMBL10452388 0.84 HSD17B10 (0.49) HSD17B10PTPRCS100A4NPBWR1MAPT
SCHEMBL27652680 0.76 HSD17B10 (0.58) HSD17B10PTPRCS100A4BCHEACHE
SCHEMBL9808965 0.74 PLA2G7 (0.49) PTPRCS100A4MAPTHSP90AA1CDK5
SCHEMBL9808973 0.74 HSD17B10 (0.51) HSD17B10PTPRCS100A4BCHEACHE
SCHEMBL9808985 0.74 HSD17B10 (0.51) HSD17B10NPBWR1MAPTVCAM1PDE7A
SCHEMBL16620979 0.74 KMT2A (0.61) HSD17B10PTPRCS100A4BCHEACHE
SCHEMBL11165999 0.72 MAPT (0.50) HSD17B10PTPRCS100A4BCHEACHE
SCHEMBL10452725 0.72 ALDH1A1 (0.55) HSD17B10PTPRCS100A4MEN1KMT2A
SCHEMBL14746574 0.71 HSD17B10 (0.45) HSD17B10PTPRCS100A4BCHEACHE
SCHEMBL10452131 0.71 TDP1 (0.42) HSD17B10PTPRCS100A4NPBWR1MAPT

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