SCHEMBL4603976

SCHEMBL4603976

N#Cc1cc(C#N)cc(Oc2ccc(CC(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2F)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 11/20 0.54
CA2 P00918 11/20 0.54
CA12 O43570 9/20 0.54
CA9 Q16790 8/20 0.54
CA7 P43166 3/20 0.47
CA5A P35218 2/20 0.47
CA5B Q9Y2D0 2/20 0.47
CA14 Q9ULX7 1/20 0.47
P2RX4 Q99571 2/20 0.44
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
PKM P14618 1/20 0.42
KMT2A Q03164 1/20 0.42
VEGFA P15692 1/20 0.42
EPAS1 Q99814 1/20 0.42

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
SCHEMBL4604803 0.89 CA1 (0.53) CA1CA2CA12CA9CA7
SCHEMBL4604312 0.89 CA1 (0.54) CA1CA2CA12CA9CA7
SCHEMBL2640174 0.86 CA1 (0.54) CA1CA2CA12CA9CA7
SCHEMBL2638940 0.84 CA1 (0.54) CA1CA2CA12CA9CA7
SCHEMBL4604671 0.84 CA1 (0.53) CA1CA2CA12CA9CA7
SCHEMBL4602886 0.83 CA1 (0.53) CA1CA2CA12CA9CA7
SCHEMBL2638407 0.82 CA1 (0.53) CA1CA2CA12CA9CA7
SCHEMBL2639938 0.82 CA1 (0.53) CA1CA2CA12CA9CA7
SCHEMBL4602268 0.82 CA1 (0.53) CA1CA2CA12CA9CA7
SCHEMBL2638534 0.82 CA2 (0.51) CA1CA2CA12CA9CA7

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-1940781-A1 PHENYL-ACETAMIDE NNRT INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-07-09 EP claimed
WO-2007045573-A1 PHENYL-ACETAMIDE NNRT INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-04-26 WO claimed