SCHEMBL7005930

SCHEMBL7005930

CCCC(Oc1cccc(C(=N)N)c1)C(=O)Nc1ccc(-c2ccccc2S(=O)(=O)CC)cc1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.63
PRSS1 P07477 5/20 0.63
F2 P00734 1/20 0.51
PRSS2 P07478 1/20 0.51
PRSS3 P35030 1/20 0.51

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
SCHEMBL7597733 0.93 F10 (0.73) F10PRSS1PRSS2PRSS3
SCHEMBL7006420 0.93 F10 (0.65) F10PRSS1F2PRSS2PRSS3
SCHEMBL7007614 0.93 F10 (0.65) F10PRSS1F2PRSS2PRSS3
SCHEMBL7008870 0.88 F10 (0.63) F10PRSS1F2PRSS2PRSS3
SCHEMBL7599312 0.88 F10 (0.71) F10PRSS1PRSS2PRSS3
SCHEMBL6298667 0.88 F10 (0.82) F10PRSS1F2
SCHEMBL7596363 0.87 F10 (0.70) F10PRSS1PRSS2PRSS3
SCHEMBL7006282 0.87 F10 (0.62) F10PRSS1F2PRSS2PRSS3
SCHEMBL6296861 0.86 F10 (0.66) F10PRSS1F2PRSS2PRSS3
SCHEMBL7007344 0.85 F10 (0.53) F10PRSS1F2PRSS2PRSS3

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-1268413-A2 SUBSTITUTED BIPHENYL DERIVATIVES MERCK PATENT GmbH (DE) 2003-01-02 EP claimed
WO-2001070678-A2 SUBSTITUTED BIPHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2001-09-27 WO claimed
EP-1268413-A2 SUBSTITUTED BIPHENYL DERIVATIVES MERCK PATENT GmbH (DE) 2003-01-02 EP disclosed
WO-2001070678-A2 SUBSTITUTED BIPHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2001-09-27 WO disclosed