SCHEMBL2330347

SCHEMBL2330347

N#Cc1cc(CN2CC[C@H](N(Cc3ccccc3)S(=O)(=O)c3cc(Cl)c(Cl)s3)C2=O)cs1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KLK6 Q92876 2/20 0.41
F2 P00734 5/20 0.40
F10 P00742 5/20 0.40
FNTA P49354 9/20 0.39
FNTB P49356 9/20 0.39
PGGT1B P53609 5/20 0.39
KCNH2 Q12809 6/20 0.36
PLG P00747 1/20 0.35
PLAT P00750 1/20 0.35
PROC P04070 1/20 0.35
PSEN1 P49768 2/20 0.34
PSEN2 P49810 2/20 0.34
APH1B Q8WW43 2/20 0.34
NCSTN Q92542 2/20 0.34
APH1A Q96BI3 2/20 0.34
PSENEN Q9NZ42 2/20 0.34

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
SCHEMBL2331807 0.88 F10 (0.39) KLK6F2F10FNTAFNTB
SCHEMBL7475980 0.87 F10 (0.35) KLK6F2F10FNTAFNTB
SCHEMBL2329584 0.87 FNTA (0.44) KLK6F2F10FNTAFNTB
SCHEMBL2330020 0.86 MAPT (0.36) F2F10FNTAFNTBPGGT1B
SCHEMBL2326867 0.82 F10 (0.35) KLK6F2F10FNTAFNTB
SCHEMBL2328755 0.81 F10 (0.45) KLK6F2F10FNTAFNTB
Trifluoroacetic Acid SCHEMBL2333940 0.80 KLK6 (0.49) KLK6F2F10PLGPLAT
Trifluoroacetic Acid SCHEMBL2333936 0.80 KLK6 (0.49) KLK6F2F10PLGPLAT
SCHEMBL8425396 0.78 FNTA (0.43) F2F10FNTAFNTBPGGT1B
SCHEMBL2330362 0.78 F10 (0.68) KLK6F2F10PLGPLAT

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-0853618-B1 SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N- (AMINOIMINOMETHYL)PHENYLALKYL -AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARMA INC (US) 2011-08-17 EP disclosed
US-5958918-A Substituted (sulfinic acid, sulfonic acid, sulfonylamino or sulfinylamino) N- (aminominomethyl)phenylalkyl!-azaheterocyclylamide compounds RHONE-POULENC RORER PHARMACEUTICALS INC. 1999-09-28 US 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