SCHEMBL7363801

SCHEMBL7363801

CC(C(=O)O)N(CCc1ccc(-c2ccccc2S(=O)(=O)NC(C)(C)C)cc1)c1cccc(C#N)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.43
USP30 Q70CQ3 2/20 0.41
ALOX5AP P20292 5/20 0.40
FEN1 P39748 5/20 0.40
F2 P00734 7/20 0.39
PRSS1 P07477 6/20 0.39
PRSS2 P07478 6/20 0.39
PRSS3 P35030 6/20 0.39
ADAMTS4 O75173 2/20 0.38
F10 P00742 1/20 0.37
PLG P00747 1/20 0.37
PLAT P00750 1/20 0.37
F7 P08709 1/20 0.37
MMP13 P45452 1/20 0.37
BRS3 P32247 1/20 0.37

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
SCHEMBL7459611 0.96 MMP3 (0.44) MMP3USP30ALOX5APFEN1F2
SCHEMBL7454504 0.85 ALOX5AP (0.38) MMP3USP30ALOX5APFEN1ADAMTS4
SCHEMBL7450977 0.84 MMP3 (0.41) MMP3ALOX5APFEN1F2PRSS1
SCHEMBL7368049 0.81 F2 (0.59) ALOX5APFEN1F2PRSS1PRSS2
SCHEMBL7357764 0.80 MMP3 (0.42) MMP3ALOX5APFEN1F2PRSS1
SCHEMBL7358633 0.79 ALOX5AP (0.43) ALOX5APFEN1F2PRSS1PRSS2
SCHEMBL7459605 0.79 F2 (0.59) MMP3ALOX5APFEN1F2PRSS1
SCHEMBL7365001 0.78 ALOX5AP (0.42) MMP3USP30ALOX5APFEN1F2
SCHEMBL7359722 0.77 F2 (0.42) ALOX5APFEN1F2PRSS1PRSS2
SCHEMBL7057459 0.75 RORC (0.44) MMP3USP30ALOX5APFEN1F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0892780-B1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2002-11-20 EP disclosed
EP-0892780-A1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1999-01-27 EP disclosed
WO-1997030971-A1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-28 WO disclosed