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SCHEMBL4643765

SCHEMBL4643765

O=S(=O)([O-])c1c(F)c(F)c(F)c(F)c1F.O=S(=O)([O-])c1c(F)c(F)c(F)c(F)c1F.O=S(=O)([O-])c1c(F)c(F)c(F)c(F)c1F.c1ccc([S+](c2ccccc2)c2ccc(Cc3ccc([I+]c4ccc(Cc5ccc([S+](c6ccccc6)c6ccccc6)cc5)cc4)cc3)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.33
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33
▸ HDAC11 Q96DB2 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CA7 P43166 1/20 0.30
▸ CA13 Q8N1Q1 1/20 0.30

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
SCHEMBL4643178 0.99 CA1 (0.32) CA12CA1CA2CA9CA14
SCHEMBL4643818 0.89 — —
SCHEMBL6024029 0.89 HDAC11 (0.36) HDAC11HDAC8HDAC6
SCHEMBL4644024 0.88 CA12 (0.30) CA12CA1CA2CA9
SCHEMBL4641352 0.86 — —
SCHEMBL6024032 0.86 — —
SCHEMBL4643823 0.85 CA1 (0.37) CA12CA1CA2CA9LMNA
SCHEMBL4643198 0.85 CA12 (0.37) CA12CA1CA2CA7CA13
SCHEMBL4641729 0.84 CA12 (0.36) CA12CA1CA2CA7CA13
SCHEMBL4647402 0.84 CA1 (0.36) CA12CA1CA2CA9LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1443042-B1 HYBRID ONIUM SALT WAKO PURE CHEM IND LTD (JP) 2008-08-13 — — EP disclosed
US-7101918-B2 Hybrid type onium salt WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2006-09-05 — — US disclosed
US-20050020710-A1 Hybrid onium salt WAKO PURE CHEMICALS INDUSTRIES, LTD. (JP) 2005-01-27 — — US disclosed
EP-1443042-A1 HYBRID ONIUM SALT Wako Pure Chemical Industries, Ltd. (JP) 2004-08-04 — — EP disclosed