SCHEMBL13042428

SCHEMBL13042428

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 15/20 0.42
CA1 P00915 14/20 0.42
CA12 O43570 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
GPR34 Q9UPC5 1/20 0.39
CA4 P22748 1/20 0.39
CACNA1B Q00975 1/20 0.38
MME P08473 1/20 0.37
ACE P12821 1/20 0.37
CPA1 P15085 1/20 0.37
ACE2 Q9BYF1 1/20 0.37
IL1RN P18510 1/20 0.36
ERAP2 Q6P179 1/20 0.36

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
SCHEMBL3775757 1.00 CA2 (0.42) CA2CA1CA12CA7CA9
SCHEMBL3775761 1.00 CA2 (0.42) CA2CA1CA12CA7CA9
SCHEMBL3740196 0.95 CA1 (0.42) CA2CA1CA12CA7CA9
SCHEMBL3734673 0.95 CA1 (0.42) CA2CA1CA12CA7CA9
SCHEMBL3734677 0.95 CA1 (0.42) CA2CA1CA12CA7CA9
SCHEMBL3737706 0.95 CA1 (0.42) CA2CA1CA12CA7CA9
SCHEMBL4554498 0.90 CA2 (0.42) CA2CA1CA12CA7CA9
SCHEMBL4554500 0.90 CA2 (0.42) CA2CA1CA12CA7CA9
SCHEMBL3734877 0.89 CA1 (0.41) CA2CA1CA12CA7CA9
SCHEMBL3734875 0.89 CA1 (0.41) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7829063-B2 Development of molecular imaging probes for carbonic anhydrase-IX using click chemistry SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-11-09 US disclosed