SCHEMBL9808965

SCHEMBL9808965

Nc1ccc(Cl)c(-c2ccccc2[S+]([O-])c2ccccc2-c2cc(N)ccc2Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 1/20 0.49
CYP3A4 P08684 4/20 0.41
NFKB1 P19838 1/20 0.41
PMP22 Q01453 1/20 0.41
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 5/20 0.39
ALDH1A1 P00352 5/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
TP53 P04637 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
MAPK1 P28482 1/20 0.39
PTPRC P08575 2/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
APAF1 O14727 1/20 0.38
TDP2 O95551 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
SCHEMBL9808917 0.81 HTR2B (0.41) PLA2G7CYP3A4TSHRSMN1; SMN2ALDH1A1
SCHEMBL2807338 0.77 CYP3A4 (0.65) PLA2G7CYP3A4NFKB1PMP22TSHR
SCHEMBL9808964 0.74 HSD17B10 (0.50) CYP3A4NFKB1PMP22TSHRSMN1; SMN2
SCHEMBL9808975 0.70 CYP3A4 (0.42) PLA2G7CYP3A4TSHRSMN1; SMN2ALDH1A1
SCHEMBL9808986 0.70 CYP3A4 (0.42) PLA2G7CYP3A4NFKB1PMP22TSHR
SCHEMBL13365533 0.70 CYP2A6 (0.54) PLA2G7CYP3A4NFKB1PMP22TSHR
SCHEMBL9006034 0.70 PLA2G7 (0.69) PLA2G7CYP3A4NFKB1PMP22TSHR
SCHEMBL31374861 0.70 CYP2A6 (0.54) PLA2G7CYP3A4NFKB1PMP22TSHR
SCHEMBL31607633 0.69 PLA2G7 (0.49) PLA2G7CYP3A4NFKB1PMP22TSHR
SCHEMBL27185966 0.69 PLA2G7 (0.49) PLA2G7CYP3A4NFKB1PMP22TSHR

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