SCHEMBL8715820

SCHEMBL8715820

Cc1cc(C)[n+](F)c(C)c1.O=S(=O)([O-])OF

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.34
CA1 P00915 5/20 0.34
CA9 Q16790 5/20 0.34
CA12 O43570 3/20 0.33
CA4 P22748 2/20 0.33
CA6 P23280 2/20 0.33
CA5A P35218 2/20 0.33
CA7 P43166 2/20 0.33
CA13 Q8N1Q1 2/20 0.33
CA14 Q9ULX7 2/20 0.33
CA5B Q9Y2D0 2/20 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
SCHEMBL8715817 0.85 CA2 (0.37) CA2CA1CA9CA12CA4
SCHEMBL138421 0.78 ALDH1A1 (0.35)
SCHEMBL64553 0.76 LMNA (0.36) CA2CA1CA9CA12CA4
SCHEMBL64007 0.71 ALDH1A1 (0.30)
Trifluoromethanesulfonic Acid SCHEMBL8717967 0.71 KCNH2 (0.38) CA2CA1CA9CA12CA4
Trifluoromethanesulfonic Acid SCHEMBL5571529 0.69 GPR3 (0.32)
Trifluoromethanesulfonic Acid SCHEMBL997394 0.69 GPR3 (0.34)
SCHEMBL64554 0.68 CA2 (0.31) CA2CA1CA9CA12
SCHEMBL18230657 0.66 CA2 (0.38) CA2CA1CA9CA12CA4
SCHEMBL8987886 0.64 CA12 (0.34) CA2CA1CA9CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0646979-B1 MATERIAL FOR GENERATING ELECTRIC ENERGY DAIKIN IND LTD (JP) 1998-11-11 EP disclosed
EP-0646979-A1 MATERIAL FOR GENERATING ELECTRIC ENERGY DAIKIN INDUSTRIES, LTD. (JP) 1995-04-05 EP disclosed