Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2333936

N=C(N)c1cc(CN2CCC(N(Cc3ccccc3)S(=O)(=O)c3cc(Cl)c(Cl)s3)C2=O)cs1.O=C(O)C(F)(F)F

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KLK6 Q92876 3/20 0.49
F10 P00742 16/20 0.47
F2 P00734 12/20 0.47
PLG P00747 2/20 0.47
PLAT P00750 1/20 0.47
PROC P04070 1/20 0.47
HDAC4 P56524 1/20 0.34
HDAC6 Q9UBN7 1/20 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
Trifluoroacetic Acid SCHEMBL2333940 1.00 KLK6 (0.49) KLK6F10F2PLGPLAT
Trifluoroacetic Acid SCHEMBL7421384 0.90 F2 (0.42) KLK6F10F2PLGPLAT
Trifluoroacetic Acid SCHEMBL2333125 0.89 F10 (0.41) KLK6F10F2PLGPLAT
Trifluoroacetic Acid SCHEMBL2330031 0.83 F10 (0.50) KLK6F10F2PLGPLAT
Trifluoroacetic Acid SCHEMBL2330028 0.83 F10 (0.50) KLK6F10F2PLGPLAT
Trifluoroacetic Acid SCHEMBL2360140 0.82 KLK6 (0.64) KLK6F10F2PLGPLAT
Trifluoroacetic Acid SCHEMBL8042826 0.80 F10 (0.56) KLK6F10F2PLGPLAT
Trifluoroacetic Acid SCHEMBL7481726 0.80 F10 (0.56) KLK6F10F2PLGPLAT
SCHEMBL2330347 0.80 KLK6 (0.41) KLK6F10F2PLGPLAT
Trifluoroacetic Acid SCHEMBL2331874 0.80 KLK6 (0.77) KLK6F10F2PLGPLAT

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