SCHEMBL7601663

SCHEMBL7601663

CC(C)CC(Oc1cccc(C(=N)N)c1)C(=O)Nc1cccc(-c2cccc(S(N)(=O)=O)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 10/20 0.48
CA1 P00915 9/20 0.48
CA12 O43570 7/20 0.48
CA9 Q16790 7/20 0.48
PRSS1 P07477 4/20 0.47
F10 P00742 4/20 0.47
PLAU P00749 3/20 0.45
F2 P00734 2/20 0.45
PLG P00747 1/20 0.45
PLAT P00750 1/20 0.45
KLKB1 P03952 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HPN P05981 1/20 0.44
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL7600451 0.94 F10 (0.52) CA2CA1CA12CA9PRSS1
SCHEMBL7118692 0.91 PLAU (0.48) CA2CA1CA12CA9PRSS1
SCHEMBL7600785 0.90 CA1 (0.55) CA2CA1CA12CA9PRSS1
SCHEMBL7600245 0.83 F10 (0.53) CA2CA1CA12CA9PRSS1
SCHEMBL7114682 0.82 F10 (0.68) CA2CA1CA12CA9PRSS1
SCHEMBL7600812 0.81 F10 (0.72) PRSS1F10PLG
SCHEMBL7008413 0.78 F10 (0.64) PRSS1F10F2
SCHEMBL6298111 0.74 PRSS1 (0.51) PRSS1F10F2PLG
SCHEMBL7601136 0.73 F10 (0.58) PRSS1F10F2PLGPLAT
SCHEMBL7597733 0.71 F10 (0.73) PRSS1F10PLG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1257530-A1 AMINOSULFONYLBIPHENYL DERIVATIVES MERCK PATENT GmbH (DE) 2002-11-20 EP claimed
WO-2001062717-A1 AMINOSULFONYLBIPHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2001-08-30 WO claimed
EP-1257530-A1 AMINOSULFONYLBIPHENYL DERIVATIVES MERCK PATENT GmbH (DE) 2002-11-20 EP disclosed
WO-2001062717-A1 AMINOSULFONYLBIPHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2001-08-30 WO disclosed