SCHEMBL10913249

SCHEMBL10913249

CCC(C(=O)O)c1ccc2sc(S(N)(=O)=O)nc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 17/20 0.54
▸ CA1 P00915 7/20 0.48
▸ CA12 O43570 3/20 0.46
▸ CA4 P22748 3/20 0.46
▸ CA14 Q9ULX7 3/20 0.46
▸ CA7 P43166 2/20 0.46
▸ CA6 P23280 2/20 0.45
▸ CA5A P35218 2/20 0.45
▸ CA9 Q16790 2/20 0.45
▸ CA5B Q9Y2D0 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ CA3 P07451 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ CA13 Q8N1Q1 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ AKR1C3 P42330 3/20 0.43
▸ AKR1C2 P52895 3/20 0.43

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
SCHEMBL10913232 0.84 CA2 (0.58) CA2CA1CA12CA4CA14
SCHEMBL10914045 0.79 CA2 (0.56) CA2CA1CA12CA4CA14
SCHEMBL14299650 0.79 CA2 (0.61) CA2CA1CA12CA4CA14
SCHEMBL10915438 0.76 CA2 (0.52) CA2CA1CA12CA4CA14
SCHEMBL10914588 0.75 CA2 (0.51) CA2CA1CA12CA4CA14
SCHEMBL10913446 0.73 CA2 (0.61) CA2CA1CA12CA4CA14
SCHEMBL143678 0.72 RAB9A (0.58) KDM4ELMNAPKMKMT2AAKR1C3
SCHEMBL7924807 0.72 CA2 (0.82) CA2CA1
SCHEMBL564235 0.71 CA2 (1.00) CA2CA1CA12CA4CA14
SCHEMBL14317794 0.71 CA2 (0.67) CA2CA1CA12CA4CA14

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0091367-B1 BENZOTHIAZOLESULFONAMIDE DERIVATIVES FOR THE TOPICAL TREATMENT OF ELEVATED INTRAOCULAR PRESSURE MERCK & CO. INC. (US) 1986-06-18 — — EP claimed
US-4426388-A 5-Benzothiazolesulfonamide derivatives for the topical treatment of elevated intraocular pressure MERCK & CO., INC. (US) 1984-01-17 — — US disclosed
EP-0091367-A2 Benzothiazolesulfonamide derivatives for the topical treatment of elevated intraocular pressure MERCK & CO. INC. (US) 1983-10-12 — — EP disclosed
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