SCHEMBL7997641

SCHEMBL7997641

COc1ccc2ccc(S(=O)(=O)N3CC(=O)N(Cc4ccc(C(=N)N)cc4)C(=O)C3)cc2c1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.58
F2 P00734 7/20 0.49
PRSS1 P07477 4/20 0.49
PLG P00747 2/20 0.49
PROC P04070 2/20 0.49
PLAT P00750 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45

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
SCHEMBL7999864 0.90 F10 (0.59) F10F2PRSS1PLGPROC
SCHEMBL7996279 0.88 F10 (0.46) F10F2PRSS1PLGPROC
SCHEMBL7999856 0.88 F10 (0.64) F10F2PRSS1PLGPROC
SCHEMBL7999873 0.86 F10 (0.61) F10F2PRSS1PLGPROC
SCHEMBL7069988 0.85 F10 (0.59) F10F2PRSS1MEN1KMT2A
SCHEMBL8003260 0.83 F10 (0.58) F10F2PRSS1PLGPROC
SCHEMBL7997616 0.79 MAPT (0.45) MEN1KMT2AL3MBTL1
SCHEMBL7986939 0.79 F10 (0.66) F10F2PRSS1PLGPROC
SCHEMBL7996275 0.79 F10 (0.58) F10F2PRSS1PLGPROC
SCHEMBL1652295 0.77 F10 (0.56) F10F2

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
WO-2000008005-A2 PIPERAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2000-02-17 WO disclosed