SCHEMBL7990134

SCHEMBL7990134

COC(=O)S(=O)(=O)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.45
PRSS1 P07477 4/20 0.45
PRSS2 P07478 4/20 0.45
PRSS3 P35030 4/20 0.45
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA14 Q9ULX7 1/20 0.34
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CA7 P43166 1/20 0.30
CA13 Q8N1Q1 1/20 0.30

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
SCHEMBL1610407 0.78 F2 (0.35) F2PRSS1PRSS2PRSS3CA1
Acetic Acid SCHEMBL28516663 0.70 ALDH1A1 (0.35) ALDH1A1
SCHEMBL18290645 0.69
SCHEMBL7512797 0.69 CA1 (0.42) F2PRSS1PRSS2PRSS3CA1
SCHEMBL15834132 0.67 CA1 (0.39) F2PRSS1PRSS2PRSS3CA1
SCHEMBL28692223 0.67 ALDH1A1 (0.31) ALDH1A1
SCHEMBL29098424 0.67
Trifluoromethanesulfonamide SCHEMBL10667458 0.67 CA1 (0.55) F2PRSS1PRSS2PRSS3CA1
SCHEMBL28686087 0.66
SCHEMBL15510780 0.65 CA1 (0.37) F2PRSS1PRSS2PRSS3CA1

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-6177463-B1 FUNGICIDES; BACTERICIDES; MICROBIOCIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-01-23 US disclosed