SCHEMBL4566816

SCHEMBL4566816

NS(=O)(=O)c1nc2cc(OCc3cn(C(CNC(Cc4ccc(C(F)(F)F)cc4)C(=O)O)Cc4ccc(OC[C@H](O)[C@@H](O)CF)cc4)nn3)ccc2s1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 9/20 0.35
CA12 O43570 2/20 0.35
CA9 Q16790 2/20 0.35
CA1 P00915 6/20 0.33
CA7 P43166 1/20 0.33
DHODH Q02127 1/20 0.33
ALOX5AP P20292 1/20 0.33
MME P08473 2/20 0.32
ACE P12821 2/20 0.32
CPA1 P15085 2/20 0.32
ACE2 Q9BYF1 2/20 0.32
GPR132 Q9UNW8 1/20 0.32
CA4 P22748 1/20 0.31
GPR34 Q9UPC5 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
SCHEMBL4553499 0.95 CA2 (0.39) CA2CA12CA9CA1CA7
SCHEMBL4553501 0.95 CA2 (0.39) CA2CA12CA9CA1CA7
SCHEMBL4555167 0.92 CA2 (0.37) CA2CA12CA9CA1CA7
SCHEMBL4555590 0.90 CA2 (0.39) CA2CA12CA9CA1CA7
SCHEMBL4554854 0.90 CA2 (0.39) CA2CA12CA9CA1CA7
SCHEMBL4566649 0.90 CA2 (0.39) CA2CA12CA9CA1CA7
SCHEMBL4566651 0.90 CA2 (0.39) CA2CA12CA9CA1CA7
SCHEMBL3734815 0.89 MME (0.38) CA2CA12CA9CA1CA7
SCHEMBL4555512 0.88 CA1 (0.42) CA2CA12CA9CA1CA7
SCHEMBL4555511 0.88 CA1 (0.42) CA2CA12CA9CA1CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2129666-A2 DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY Siemens Medical Solutions USA, Inc. (US) 2009-12-09 EP disclosed
WO-2008124703-A2 DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2008-10-16 WO disclosed