SCHEMBL21708862

SCHEMBL21708862

N=S(=O)(c1ccccc1)C(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.46
APOBEC3G Q9HC16 1/20 0.43
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
CA7 P43166 2/20 0.42
CA13 Q8N1Q1 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA3 P07451 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
PLA2G7 Q13093 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL12486139 1.00 HTR6 (0.46) HTR6APOBEC3GCA12CA1CA2
SCHEMBL17527530 0.76 HTR6 (0.46) HTR6APOBEC3GCA12CA1CA2
SCHEMBL31401325 0.76 F2 (0.50) CA12CA1CA2CA9ALDH1A1
SCHEMBL31401289 0.76 F2 (0.50) CA12CA1CA2CA9ALDH1A1
SCHEMBL31401157 0.76 F2 (0.50) CA12CA1CA2CA9ALDH1A1
SCHEMBL719362 0.75 LMNA (0.50) HTR6APOBEC3GCA12CA1CA2
Iodide SCHEMBL31414542 0.73 LMNA (0.49) HTR6APOBEC3GCA12CA1CA2
SCHEMBL25408013 0.72 HTR6 (0.52) HTR6APOBEC3GCA12CA1CA2
SCHEMBL31460982 0.72 HTR6 (0.52) HTR6APOBEC3GCA12CA1CA2
SCHEMBL2285511 0.71 HTR6 (0.58) HTR6APOBEC3GCA12CA1CA2

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
EP-3417852-B1 ARYL ETHERS AND USES THEREOF PELOTON THERAPEUTICS INC (US) 2020-02-19 EP disclosed