SCHEMBL8813591

SCHEMBL8813591

CSCCN1CC(NCC(C)C)c2cc(S(N)(=O)=O)sc2S1(=O)=O

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 17/20 0.61
CA4 P22748 3/20 0.59
CA1 P00915 3/20 0.59
CA12 O43570 2/20 0.59
CA6 P23280 2/20 0.59
CA5A P35218 2/20 0.59
CA7 P43166 2/20 0.59
CA9 Q16790 2/20 0.59
CA13 Q8N1Q1 2/20 0.59
CA14 Q9ULX7 2/20 0.59
CA5B Q9Y2D0 2/20 0.59
LMNA P02545 2/20 0.59
CA3 P07451 1/20 0.44
AR P10275 1/20 0.44
TSHR P16473 1/20 0.44

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
Hydrochloric Acid SCHEMBL8813581 0.99 CA2 (0.60) CA2CA4CA1CA12CA6
SCHEMBL8812149 0.94 CA2 (0.65) CA2CA4CA1CA12CA6
SCHEMBL8809028 0.93 CA2 (0.64) CA2CA4CA1CA12CA6
Hydrochloric Acid SCHEMBL8809173 0.93 CA2 (0.64) CA2CA4CA1CA12CA6
Hydrochloric Acid SCHEMBL8812219 0.93 CA2 (0.62) CA2CA4CA1CA12CA6
Hydrochloric Acid SCHEMBL8878046 0.89 CA2 (0.74) CA2CA4CA1CA12CA6
Hydrochloric Acid SCHEMBL9265905 0.87 CA2 (0.65) CA2CA4CA1CA12CA6
SCHEMBL8811474 0.87 CA2 (0.62) CA2CA4CA1CA12CA6
SCHEMBL8705806 0.86 CA2 (0.82) CA2CA4CA1CA12CA6
Hydrochloric Acid SCHEMBL8876611 0.86 CA2 (0.61) CA2CA4CA1CA12CA6

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
WO-1997002825-A1 THIOPHENE SULFONAMIDES USEFUL AS CARBONIC ANHYDRASE INHIBITORS ALCON LABORATORIES, INC. (US) 1997-01-30 WO claimed