SCHEMBL9808917

SCHEMBL9808917

Nc1ccc(Cl)c(-c2cc(Cl)ccc2[S+]([O-])c2ccc(Cl)cc2-c2cc(N)ccc2Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 1/20 0.41
PDE4D Q08499 1/20 0.41
TSHR P16473 4/20 0.39
CYP3A4 P08684 4/20 0.39
TP53 P04637 2/20 0.38
ITGB2 P05107 1/20 0.38
ICAM1 P05362 1/20 0.38
ITGAL P20701 1/20 0.38
PLA2G7 Q13093 1/20 0.37
ALDH1A1 P00352 4/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
AGPAT2 O15120 1/20 0.33
PTPN11 Q06124 1/20 0.33
IDO1 P14902 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
RXFP1 Q9HBX9 1/20 0.32
CHEK1 O14757 1/20 0.32
WEE1 P30291 1/20 0.32

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
SCHEMBL9808965 0.81 PLA2G7 (0.49) TSHRCYP3A4TP53PLA2G7ALDH1A1
SCHEMBL29010805 0.77 TSHR (0.50) HTR2BPDE4DTSHRCYP3A4TP53
SCHEMBL2807338 0.75 CYP3A4 (0.65) HTR2BPDE4DTSHRCYP3A4TP53
SCHEMBL10452388 0.75 HSD17B10 (0.49) TSHRCYP3A4TP53ALDH1A1SMN1; SMN2
SCHEMBL9629797 0.75 TSHR (0.44) HTR2BPDE4DTSHRCYP3A4TP53
SCHEMBL14744510 0.74 PLA2G7 (0.66) HTR2BPDE4DTSHRCYP3A4TP53
SCHEMBL440944 0.71 TP53 (0.61) HTR2BPDE4DTSHRCYP3A4TP53
SCHEMBL29364307 0.71 TP53 (0.61) HTR2BPDE4DTSHRCYP3A4TP53
SCHEMBL9629038 0.70 ALDH1A1 (0.52) TSHRCYP3A4TP53ALDH1A1IDO1
SCHEMBL9808963 0.70 TSHR (0.48) HTR2BPDE4DTSHRCYP3A4TP53

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