SCHEMBL11114971

SCHEMBL11114971

COc1ccc(S(=O)(=O)c2ccccc2N)cc1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.65
PKM P14618 2/20 0.60
GAA P10253 2/20 0.57
MMP2 P08253 12/20 0.56
MMP12 P39900 12/20 0.56
MMP8 P22894 11/20 0.56
MMP13 P45452 11/20 0.56
MMP14 P50281 11/20 0.56
MMP16 P51512 11/20 0.56
MMP9 P14780 11/20 0.56
MMP3 P08254 8/20 0.52
MMP1 P03956 5/20 0.52
ADAM17 P78536 1/20 0.52
KEAP1 Q14145 1/20 0.48

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
SCHEMBL8933453 0.81 PKM (0.62) HTR6PKMGAAMMP2MMP12
SCHEMBL931939 0.81 HTR6 (0.77) HTR6PKMGAAMMP2MMP12
SCHEMBL14486272 0.80 PKM (0.67) HTR6PKMGAAMMP2MMP12
SCHEMBL2004711 0.80 HTR6 (0.71) HTR6GAA
SCHEMBL28702767 0.80 HTR6 (0.56) HTR6PKMGAAMMP2MMP12
SCHEMBL34558 0.80 HTR6 (0.77) HTR6PKMGAA
SCHEMBL10592283 0.79 GAA (0.61) HTR6PKMGAAMMP2MMP12
SCHEMBL30751995 0.79 HTR6 (1.00) HTR6PKMGAA
SCHEMBL395274 0.79 HTR6 (1.00) HTR6PKMGAA
SCHEMBL7274484 0.78 MMP2 (0.71) HTR6PKMGAAMMP2MMP12

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
EP-0109624-A2 Process for producing shaped articles made from polyurethane-polyurea which may be cellular BASF Aktiengesellschaft (DE) 1984-05-30 EP disclosed
US-4313872-A MONDAZO AND DISAZO DYES CASSELLA AKTIENGESELLSCHAFT (DE) 1982-02-02 US disclosed
US-4118384-A DIAZOTIZATION BAYER AKTIENGESELLSCHAFT (DE) 1978-10-03 US disclosed