SCHEMBL11115448

SCHEMBL11115448

CCCNc1ccc2sc(S(N)(=O)=O)nc2c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 20/20 0.55
CA1 P00915 15/20 0.51
CA4 P22748 4/20 0.49
CA12 O43570 3/20 0.49
CA14 Q9ULX7 3/20 0.49
CA7 P43166 2/20 0.49
CA9 Q16790 3/20 0.48
CA6 P23280 2/20 0.48
CA5A P35218 2/20 0.48
CA5B Q9Y2D0 2/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
CA3 P07451 1/20 0.48
PKM P14618 1/20 0.48
KMT2A Q03164 1/20 0.48
HIF1A Q16665 1/20 0.48
CA13 Q8N1Q1 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL10347940 0.89 CA2 (0.57) CA2CA1CA4CA12CA14
SCHEMBL10347938 0.80 CA2 (0.62) CA2CA1CA4CA12CA9
SCHEMBL10348741 0.78 CA2 (0.57) CA2CA1CA4CA12CA14
SCHEMBL10347936 0.78 CA2 (0.63) CA2CA1CA4CA12CA14
SCHEMBL10347976 0.78 CA2 (0.50) CA2CA1CA4CA12CA14
SCHEMBL10982158 0.77 CA2 (0.59) CA2CA1CA4CA12CA14
SCHEMBL10348598 0.76 CA2 (0.57) CA2CA1CA4CA12CA14
SCHEMBL12963703 0.75 RIPK1 (0.45) PKMKMT2A
SCHEMBL10983306 0.74 CA2 (0.56) CA2CA1CA4CA12CA14
SCHEMBL14317794 0.74 CA2 (0.67) CA2CA1CA4CA12CA14

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-0122831-A2 Benzothiazole-2-sulfonamide derivatives for the topical treatment of elevated intraocular pressure MERCK & CO. INC. (US) 1984-10-24 EP disclosed