Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7419282

CN[C@H]1CCN(Cc2cccc(C=NNO)c2)C1=O.O=C(O)C(F)(F)F

nearest known ligand 0.41

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Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
F10 P00742 8/20 0.39
HDAC3 O15379 2/20 0.38
HDAC2 Q92769 2/20 0.38
NCOR2 Q9Y618 2/20 0.38
NPY1R P25929 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
RAD52 P43351 1/20 0.35
KMT2A Q03164 1/20 0.35
PLG P00747 1/20 0.35
PROC P04070 1/20 0.35

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 SCHEMBL7424588 0.90 F10 (0.37) HDAC8HDAC1HDAC6F10NPY1R
Trifluoroacetic Acid SCHEMBL7425174 0.77 HRH2 (0.36) HDAC8F10HDAC3HDAC2NCOR2
Trifluoroacetic Acid SCHEMBL7421271 0.76 F10 (0.35) HDAC8HDAC1HDAC6F10RAD52
Trifluoroacetic Acid SCHEMBL8834439 0.76 F10 (0.35) HDAC8HDAC1HDAC6F10RAD52
Trifluoroacetic Acid SCHEMBL2329902 0.76 F10 (0.35) HDAC8HDAC1HDAC6F10RAD52
Trifluoroacetic Acid SCHEMBL7418499 0.75 KCNH2 (0.35) HDAC8F10HDAC3HDAC2NCOR2
Trifluoroacetic Acid SCHEMBL7423282 0.74 HRH2 (0.35) F10RAD52KMT2APLGPROC
Trifluoroacetic Acid SCHEMBL7419005 0.73 ALDH1A1 (0.40) F10KMT2A
Trifluoroacetic Acid SCHEMBL7423069 0.73 BCHE (0.41) F10PLGPROC
Trifluoroacetic Acid SCHEMBL7427888 0.73 SIGMAR1 (0.40) HDAC8HDAC1HDAC6F10KMT2A

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 6 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-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