Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7424775

N=C(N)c1ccc(CN2CC[C@@H](C(N)=O)C2=O)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 8/20 0.42
F10 P00742 4/20 0.42
HPN P05981 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
HGFAC Q04756 1/20 0.42
ST14 Q9Y5Y6 1/20 0.42
ITGB3 P05106 8/20 0.42
ITGA2B P08514 8/20 0.42
TMPRSS6 Q8IU80 1/20 0.42
F9 P00740 1/20 0.41
F7 P08709 1/20 0.41
F3 P13726 1/20 0.41

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 SCHEMBL7421270 0.87 F10 (0.52) F2F10HPNPRSS1PRSS2
Trifluoroacetic Acid SCHEMBL8834435 0.87 F10 (0.52) F2F10HPNPRSS1PRSS2
Trifluoroacetic Acid SCHEMBL2329901 0.87 F10 (0.52) F2F10HPNPRSS1PRSS2
Trifluoroacetic Acid SCHEMBL7418864 0.87 F10 (0.52) F2F10HPNPRSS1PRSS2
Trifluoroacetic Acid SCHEMBL7423936 0.81 F10 (0.51) F2F10HPNPRSS1PRSS2
Trifluoroacetic Acid SCHEMBL7421812 0.80 F10 (0.51) F2F10HPNPRSS1PRSS2
SCHEMBL7829097 0.79 HDAC1 (0.49)
Trifluoroacetic Acid SCHEMBL7423077 0.79 PRMT6 (0.42)
SCHEMBL7413859 0.78 F10 (0.56) F2F10
SCHEMBL6206674 0.78 GAA (0.53)

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 8 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
US-5612353-A ANTICOAGULANT RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1997-03-18 US 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-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
US-5612353-A ANTICOAGULANT RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1997-03-18 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