SCHEMBL6535599

SCHEMBL6535599

COc1cccc(S(=O)O)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 3/20 0.45
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA12 O43570 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 3/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.40

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
SCHEMBL30785063 0.82 CA1 (0.50) NFE2L2CA1CA2CA12CA7
SCHEMBL6784765 0.82 CA1 (0.50) NFE2L2CA1CA2CA12CA7
SCHEMBL11306042 0.80 CA1 (0.48) NFE2L2CA1CA2CA12CA7
SCHEMBL28392341 0.80 CA1 (0.48) NFE2L2CA1CA2CA12CA7
SCHEMBL7509892 0.80 CA1 (0.48) NFE2L2CA1CA2CA12CA7
SCHEMBL7509528 0.80 CA1 (0.48) NFE2L2CA1CA2CA12CA7
SCHEMBL7521503 0.80 CA1 (0.48) NFE2L2CA1CA2CA12CA7
SCHEMBL23110588 0.79 CA1 (0.41) CA1CA2CA12CA7CA9
SCHEMBL10803807 0.77 CA2 (0.39) CA1CA2ALDH1A1CYP3A4
SCHEMBL27509890 0.76 APP (0.44) CA1CA2CA12CA7CA9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1011652-A4 NOVEL DIARYLSULFONE NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS UNIV THE SCIENCES IN PHILADELP (US) 2004-12-22 EP disclosed
EP-1011652-A1 NOVEL DIARYLSULFONE NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS University of the Sciences in Philadelphia (US) 2000-06-28 EP disclosed
WO-1999006037-A1 NOVEL DIARYLSULFONE NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS UNIVERSITY OF THE SCIENCES IN PHILADELPHIA (US) 1999-02-11 WO disclosed
US-4429035-A NONSILVER PHOTOGRAPHY, OXIDATIVE COUPLING FUJI PHOTO FILM CO., LTD. (JP) 1984-01-31 US disclosed