SCHEMBL11348292

SCHEMBL11348292

CCCSP(=O)(OCC)Oc1ccc(S(=O)(=O)Oc2ccc(SC)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.40
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
CA9 Q16790 4/20 0.40
ALDH1A1 P00352 5/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CA4 P22748 3/20 0.36
CA5A P35218 3/20 0.36
CA7 P43166 3/20 0.36
CA5B Q9Y2D0 3/20 0.36
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALOX15 P16050 1/20 0.34
ENPP1 P22413 1/20 0.33

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
SCHEMBL11330947 0.88 TDP1 (0.41) CA12CA1CA2CA9LMNA
SCHEMBL11341828 0.88 ENPP1 (0.43) CA12CA1CA2CA9ALDH1A1
SCHEMBL11345002 0.88 CA12 (0.45) CA12CA1CA2CA9CA4
SCHEMBL11662772 0.88 ENPP1 (0.43) CA12CA1CA2CA9ALDH1A1
SCHEMBL9009188 0.88 CA1 (0.37) CA12CA1CA2CA9
SCHEMBL11341661 0.87 TDP1 (0.45) CA12CA1CA2CA9CA4
SCHEMBL11665748 0.87 TDP1 (0.43) CA12CA1CA2CA9ALDH1A1
SCHEMBL11341713 0.85 MEN1 (0.41) CA12CA1CA2CA9ALDH1A1
SCHEMBL11341616 0.84 CA1 (0.52) CA1CA2CA9ALDH1A1LMNA
SCHEMBL11335038 0.84 CA1 (0.37) CA12CA1CA2CA9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4287189-A USEFUL AS PESTICIDES ROHM AND HAAS COMPANY (US) 1981-09-01 US disclosed