SCHEMBL7547216

SCHEMBL7547216

C=CCN[C@H]1CNSc2sc(S(N)(=O)=O)cc21

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 18/20 0.37
CA1 P00915 2/20 0.37
CA12 O43570 1/20 0.37
CA3 P07451 1/20 0.37
AR P10275 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA13 Q8N1Q1 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL6096832 0.80 CA2 (0.55) CA2CA1CA12CA3AR
SCHEMBL3646869 0.71 CA2 (0.74) CA2CA1CA12CA3AR
SCHEMBL6093540 0.71 CA2 (0.74) CA2CA1CA12CA3AR
SCHEMBL6095172 0.68 CA2 (0.63) CA2CA1CA12CA3AR
SCHEMBL6094031 0.68 CA2 (0.63) CA2CA1CA12CA3AR
SCHEMBL7515457 0.66 CA2 (0.47) CA2CA1CA12CA3AR
Hydrochloric Acid SCHEMBL8870047 0.64 CA2 (0.55) CA2CA1CA12CA3AR
Hydrochloric Acid SCHEMBL9259391 0.64 CA2 (0.55) CA2CA1CA12CA3AR
SCHEMBL7509740 0.64 CA2 (0.35) CA2CA1CA12CA3AR
SCHEMBL7509432 0.63 CA2 (0.56) CA2CA1CA12CA3AR

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
EP-0527801-B1 THIOPHENE SULFONAMIDES USEFUL AS CARBONIC ANHYDRASE INHIBITORS ALCON LAB INC (US) 2002-07-31 EP claimed