SCHEMBL2332079

SCHEMBL2332079

N#Cc1cccc(CN2CC[C@H](N(CC(=O)NCCc3ccccc3)S(=O)(=O)c3ccc4ccccc4c3)C2=O)c1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 15/20 0.52
F2 P00734 9/20 0.50
KLK6 Q92876 1/20 0.43
PLG P00747 1/20 0.41
PROC P04070 1/20 0.41
BDKRB1 P46663 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL2326801 0.93 F10 (0.62) F10F2KLK6PLGPROC
SCHEMBL2332276 0.93 F10 (0.60) F10F2KLK6PLGPROC
SCHEMBL2331913 0.91 CA1 (0.44) F10F2
SCHEMBL2329295 0.89 F10 (0.61) F10F2KLK6PLGPROC
SCHEMBL2328303 0.89 F10 (0.59) F10F2KLK6PLGPROC
SCHEMBL2328746 0.87 F10 (0.58) F10F2KLK6PLGPROC
SCHEMBL2329589 0.86 F10 (0.64) F10F2KLK6PLGPROC
SCHEMBL2360923 0.86 F10 (0.57) F10F2KLK6PLGPROC
SCHEMBL2328149 0.84 F10 (0.64) F10F2KLK6PLGPROC
SCHEMBL2326011 0.83 F10 (0.59) F10F2KLK6PLGPROC

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