SCHEMBL30519243

SCHEMBL30519243

Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(N)(=O)=O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 13/20 0.53
CA2 P00918 13/20 0.53
CA9 Q16790 13/20 0.53
CA12 O43570 1/20 0.53
CA3 P07451 1/20 0.53
CA4 P22748 1/20 0.53
CA6 P23280 1/20 0.53
CA5A P35218 1/20 0.53
CA7 P43166 1/20 0.53
CA14 Q9ULX7 1/20 0.53
CA5B Q9Y2D0 1/20 0.53
PDIA6 Q15084 1/20 0.43
LPL P06858 4/20 0.41
LIPG Q9Y5X9 4/20 0.41
F11 P03951 1/20 0.38
HIF1A Q16665 1/20 0.38

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
SCHEMBL17442284 1.00 CA1 (0.53) CA1CA2CA9CA12CA3
SCHEMBL17442381 0.89 CA1 (0.55) CA1CA2CA9CA12CA3
SCHEMBL30519252 0.89 CA1 (0.55) CA1CA2CA9CA12CA3
SCHEMBL2414637 0.86 CA1 (0.55) CA1CA2CA9CA12CA3
SCHEMBL14658432 0.85 L3MBTL1 (0.47) CA1CA2CA9CA12CA3
SCHEMBL17442456 0.84 CA1 (0.53) CA1CA2CA9CA12CA3
SCHEMBL17442153 0.84 CA1 (0.53) CA1CA2CA9CA12CA3
SCHEMBL29021167 0.83 CA1 (0.44) CA1CA2CA9CA12CA3
SCHEMBL2414926 0.83 CA1 (0.51) CA1CA2CA9CA12CA3
SCHEMBL24168961 0.83 LIPG (0.45) CA1CA2CA9CA12CA3

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-2023146513-A1 COMPOUNDS AND METHODS OF USE THEREOF VIVACE THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed