SCHEMBL4554498

SCHEMBL4554498

NS(=O)(=O)c1nc2ccc(OCc3cn([C@H](CN[C@@H](Cc4cccc(C(F)(F)F)c4)C(=O)O)Cc4ccc(OCCF)cc4)nn3)cc2s1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA2 P00918 18/20 0.42
CA1 P00915 17/20 0.42
CA12 O43570 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA4 P22748 3/20 0.39
CACNA1B Q00975 1/20 0.38
GPR34 Q9UPC5 1/20 0.37

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
SCHEMBL4554500 1.00 CA2 (0.42) CA2CA1CA12CA7CA9
SCHEMBL4555511 0.95 CA1 (0.42) CA2CA1CA12CA7CA9
SCHEMBL4554532 0.95 CA1 (0.42) CA2CA1CA12CA7CA9
SCHEMBL4555340 0.95 CA1 (0.42) CA2CA1CA12CA7CA9
SCHEMBL4555512 0.95 CA1 (0.42) CA2CA1CA12CA7CA9
SCHEMBL4554531 0.95 CA1 (0.42) CA2CA1CA12CA7CA9
SCHEMBL4555343 0.95 CA1 (0.42) CA2CA1CA12CA7CA9
SCHEMBL13042428 0.90 CA2 (0.42) CA2CA1CA12CA7CA9
SCHEMBL3775761 0.90 CA2 (0.42) CA2CA1CA12CA7CA9
SCHEMBL3775757 0.90 CA2 (0.42) CA2CA1CA12CA7CA9

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 claimed
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 claimed