SCHEMBL8543281

SCHEMBL8543281

CCc1cc(S(=O)(=O)C2CCCC2)c(C(F)(F)F)cc1C(=O)Cl

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 9/20 0.37
CA1 P00915 9/20 0.37
CA2 P00918 9/20 0.37
CA6 P23280 9/20 0.37
CA5A P35218 9/20 0.37
CA7 P43166 9/20 0.37
CA9 Q16790 9/20 0.37
CA13 Q8N1Q1 9/20 0.37
CA14 Q9ULX7 9/20 0.37
CA5B Q9Y2D0 9/20 0.37
CA4 P22748 8/20 0.37
CA3 P07451 8/20 0.37
DDR1 Q08345 6/20 0.35
COMT P21964 2/20 0.33
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL8538609 0.99 CA12 (0.39) CA12CA1CA2CA6CA5A
SCHEMBL8538974 0.99 CA12 (0.39) CA12CA1CA2CA6CA5A
SCHEMBL8540501 0.98 CA12 (0.35) CA12CA1CA2CA6CA5A
SCHEMBL8538912 0.95 CCR2 (0.34) CA12CA1CA2CA6CA5A
SCHEMBL8540494 0.85 CA12 (0.35) CA12CA1CA2CA6CA5A
SCHEMBL8539018 0.85 TAS1R3 (0.31)
SCHEMBL8544558 0.84 CA12 (0.37) CA12CA1CA2CA6CA5A
SCHEMBL8543067 0.84 CA12 (0.37) CA12CA1CA2CA6CA5A
SCHEMBL6938050 0.83 SLC9A1 (0.41)
SCHEMBL8537147 0.82 CA12 (0.33) CA12CA1CA2CA6CA5A

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-5744641-A Sulfonyl- or sulfinylbenzoylguanidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-04-28 US disclosed