SCHEMBL8540987

SCHEMBL8540987

Cc1cc(S(=O)(=O)C2CCC2)c(S(C)(=O)=O)cc1C(=O)Cl

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.43
CA12 O43570 4/20 0.37
CA1 P00915 4/20 0.37
CA2 P00918 4/20 0.37
CA4 P22748 4/20 0.37
CA6 P23280 4/20 0.37
CA5A P35218 4/20 0.37
CA7 P43166 4/20 0.37
CA9 Q16790 4/20 0.37
CA13 Q8N1Q1 4/20 0.37
CA14 Q9ULX7 4/20 0.37
CA5B Q9Y2D0 4/20 0.37
CNR1 P21554 1/20 0.36
CA3 P07451 3/20 0.35

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
SCHEMBL8538511 0.97 SLC9A1 (0.43) SLC9A1CA12CA1CA2CA4
SCHEMBL8542836 0.96 SLC9A1 (0.43) SLC9A1CA12CA1CA2CA4
SCHEMBL8536912 0.96 SLC9A1 (0.43) SLC9A1CA12CA1CA2CA4
SCHEMBL8538271 0.94 SLC9A1 (0.46) SLC9A1
SCHEMBL8542782 0.84 SLC9A1 (0.40) SLC9A1
SCHEMBL8536959 0.84 CA12 (0.39) CA12CA1CA2CA4CA6
SCHEMBL6719348 0.83 SLC9A1 (0.57) SLC9A1
SCHEMBL8542870 0.81 CA12 (0.41) CA12CA1CA2CA4CA6
SCHEMBL7068651 0.81 SLC9A1 (0.73) SLC9A1
SCHEMBL8537872 0.80 CA12 (0.43) CA12CA1CA2CA4CA6

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