SCHEMBL2331807

SCHEMBL2331807

N#Cc1cc(CN2CC[C@H](N(CC(=O)O)S(=O)(=O)c3cc(Cl)c(Cl)s3)C2=O)cs1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.39
KLK6 Q92876 2/20 0.36
F2 P00734 7/20 0.35
PLG P00747 1/20 0.34
PLAT P00750 1/20 0.34
PROC P04070 1/20 0.34
S100A9 P06702 1/20 0.31
FNTA P49354 1/20 0.30
FNTB P49356 1/20 0.30
PGGT1B P53609 1/20 0.30
EPHX2 P34913 1/20 0.30

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
SCHEMBL2326867 0.89 F10 (0.35) F10KLK6F2PLGPLAT
SCHEMBL7475980 0.88 F10 (0.35) F10KLK6F2FNTAFNTB
SCHEMBL2330347 0.88 KLK6 (0.41) F10KLK6F2PLGPLAT
SCHEMBL2330020 0.87 MAPT (0.36) F10F2FNTAFNTBPGGT1B
SCHEMBL2328751 0.77 F10 (0.66) F10KLK6F2PLGPLAT
SCHEMBL8424049 0.77 S100A9 (0.33) F10F2PLGS100A9EPHX2
SCHEMBL2329019 0.77 F10 (0.44) F10F2PLGPLATPROC
SCHEMBL2332931 0.74 F10 (0.44) F10KLK6F2PLGPLAT
SCHEMBL2325807 0.74 F10 (0.50) F10KLK6F2PLGPLAT
SCHEMBL2329584 0.74 FNTA (0.44) F10KLK6F2FNTAFNTB

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-0853618-B1 SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N- (AMINOIMINOMETHYL)PHENYLALKYL -AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARMA INC (US) 2011-08-17 EP disclosed
EP-0853618-A4 SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N- (AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLYLAMIDE COMPOUNDS RHONE POULENC RORER PHARMA (US) 2000-03-15 EP disclosed
EP-0853618-A1 SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N- (AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLYLAMIDE COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1998-07-22 EP disclosed
WO-1996040679-A1 SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N-[(AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLYLAMIDE COMPOUNDS RHÔNE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-12-19 WO disclosed