SCHEMBL4643178

SCHEMBL4643178

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([I+]c2ccc(Cc3ccc([S+](c4ccccc4)c4ccccc4)cc3)cc2)cc1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.32
CA2 P00918 3/20 0.32
CA12 O43570 2/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
CA7 P43166 1/20 0.32
CA13 Q8N1Q1 1/20 0.32
LMNA P02545 1/20 0.31

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
SCHEMBL4643765 0.99 CA12 (0.33) CA1CA2CA12CA9CA14
SCHEMBL4641352 0.88
SCHEMBL4643818 0.88
SCHEMBL6024029 0.88 HDAC11 (0.36) HDAC11HDAC8HDAC6
SCHEMBL4644024 0.87 CA12 (0.30) CA1CA2CA12CA9
SCHEMBL4641729 0.85 CA12 (0.36) CA1CA2CA12CA7CA13
SCHEMBL4647402 0.85 CA1 (0.36) CA1CA2CA12CA9CA7
SCHEMBL6024032 0.85
SCHEMBL4643823 0.84 CA1 (0.37) CA1CA2CA12CA9CA7
SCHEMBL4643198 0.84 CA12 (0.37) CA1CA2CA12CA7CA13

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