SCHEMBL4555426

SCHEMBL4555426

CC(C)C(C(=O)NCc1cc(F)ccc1F)n1cc(COc2ccc3nc(S(N)(=O)=O)sc3c2)nn1.NS(=O)(=O)c1nc2ccc(OCc3cn(Cc4cccc(Br)c4)nn3)cc2s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.40
CA1 P00915 5/20 0.40
CA12 O43570 3/20 0.40
CA7 P43166 3/20 0.40
CA9 Q16790 3/20 0.40
ANPEP P15144 1/20 0.38
F2 P00734 1/20 0.36
CA3 P07451 2/20 0.35
CA4 P22748 2/20 0.35
CA6 P23280 2/20 0.35
CA5A P35218 2/20 0.35
CA13 Q8N1Q1 2/20 0.35
CA14 Q9ULX7 2/20 0.35
CA5B Q9Y2D0 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
PKM P14618 1/20 0.35
KMT2A Q03164 1/20 0.35
HIF1A Q16665 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL4555425 1.00 CA2 (0.40) CA2CA1CA12CA7CA9
SCHEMBL3784917 0.90 CA2 (0.44) CA2CA1CA12CA7CA9
SCHEMBL3784909 0.90 CA2 (0.44) CA2CA1CA12CA7CA9
SCHEMBL3732707 0.83 CA2 (0.46) CA2CA1CA12CA7CA9
SCHEMBL3732704 0.83 CA2 (0.46) CA2CA1CA12CA7CA9
SCHEMBL3729963 0.82 CA2 (0.56) CA2CA1CA12CA7CA9
SCHEMBL3729964 0.82 CA2 (0.56) CA2CA1CA12CA7CA9
SCHEMBL3747349 0.81 CA2 (0.59) CA2CA1CA12CA7CA9
SCHEMBL3732173 0.80 CA2 (0.49) CA2CA1CA12CA7CA9
SCHEMBL3732178 0.80 CA2 (0.49) 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 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