Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2360140

N=C(N)c1cc(CN2CC[C@H](N(Cc3ccccc3)S(=O)(=O)c3ccc4ccc(N)cc4c3)C2=O)cs1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KLK6 Q92876 3/20 0.64
F10 P00742 17/20 0.60
F2 P00734 13/20 0.60
PLG P00747 2/20 0.60
PROC P04070 2/20 0.60
PLAT P00750 1/20 0.60

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
Trifluoroacetic Acid SCHEMBL2335239 0.92 KLK6 (0.60) KLK6F10F2PLGPROC
Trifluoroacetic Acid SCHEMBL2331871 0.91 KLK6 (0.77) KLK6F10F2PLGPROC
Trifluoroacetic Acid SCHEMBL2331874 0.91 KLK6 (0.77) KLK6F10F2PLGPROC
Trifluoroacetic Acid SCHEMBL2334198 0.90 F10 (0.74) KLK6F10F2PLGPROC
Trifluoroacetic Acid SCHEMBL2335734 0.84 KLK6 (0.90) KLK6F10F2PLGPROC
Trifluoroacetic Acid SCHEMBL2330620 0.83 F10 (0.74) KLK6F10F2PLGPROC
Trifluoroacetic Acid SCHEMBL2333936 0.82 KLK6 (0.49) KLK6F10F2PLGPROC
Trifluoroacetic Acid SCHEMBL2333940 0.82 KLK6 (0.49) KLK6F10F2PLGPROC
Trifluoroacetic Acid SCHEMBL2329906 0.82 F10 (0.66) KLK6F10F2PLGPROC
Trifluoroacetic Acid SCHEMBL2328333 0.82 F10 (0.89) KLK6F10F2PLGPROC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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 claimed
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