SCHEMBL8537872

SCHEMBL8537872

CCc1cc(S(=O)(=O)C2CCCCC2)c(S(C)(=O)=O)cc1C(=O)Cl

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 9/20 0.43
CA1 P00915 9/20 0.43
CA2 P00918 9/20 0.43
CA6 P23280 9/20 0.43
CA5A P35218 9/20 0.43
CA7 P43166 9/20 0.43
CA9 Q16790 9/20 0.43
CA13 Q8N1Q1 9/20 0.43
CA14 Q9ULX7 9/20 0.43
CA5B Q9Y2D0 9/20 0.43
CA4 P22748 8/20 0.43
CA3 P07451 8/20 0.43
CNR1 P21554 1/20 0.39
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SCN9A Q15858 1/20 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
SCHEMBL8543549 1.00 CA12 (0.43) CA12CA1CA2CA6CA5A
SCHEMBL8542870 0.99 CA12 (0.41) CA12CA1CA2CA6CA5A
SCHEMBL8536959 0.96 CA12 (0.39) CA12CA1CA2CA6CA5A
SCHEMBL8544250 0.93 CA12 (0.35) CA12CA1CA2CA6CA5A
SCHEMBL8542836 0.84 SLC9A1 (0.43) CA12CA1CA2CA6CA5A
SCHEMBL8536912 0.84 SLC9A1 (0.43) CA12CA1CA2CA6CA5A
SCHEMBL8538752 0.83 SLC9A1 (0.39)
SCHEMBL8538511 0.83 SLC9A1 (0.43) CA12CA1CA2CA6CA5A
SCHEMBL8542680 0.82 TAS1R3 (0.31)
SCHEMBL6938130 0.82 SLC9A1 (0.51)

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