Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7658458

COC(=O)Cn1c(=O)c(-c2cn(CCCN)c3ccccc23)nc2cc3ccccc3cc21.O=C(O)C(F)(F)F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 11/20 0.42
KDR P35968 1/20 0.40
GSK3B P49841 1/20 0.40
PIM1 P11309 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
USP2 O75604 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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 SCHEMBL7654562 0.87 CAMK2D (0.45) CAMK2DPIM1ALDH1A1USP2CYP1A2
Trifluoroacetic Acid SCHEMBL7807656 0.84 MAPT (0.43) CAMK2DPIM1KDM4EALDH1A1MAPT
Acetic Acid SCHEMBL7658116 0.83 CAMK2D (0.49) CAMK2DKDRGSK3BPIM1ALDH1A1
Trifluoroacetic Acid SCHEMBL7817667 0.83 CAMK2D (0.44) CAMK2DPIM1KDM4E
Trifluoroacetic Acid SCHEMBL7817211 0.82 MAPT (0.43) CAMK2DPIM1ALDH1A1MAPTUSP2
Trifluoroacetic Acid SCHEMBL7815291 0.82 CAMK2D (0.46) CAMK2DPIM1ALDH1A1MAPTMAPK1
SCHEMBL7658467 0.80 CAMK2D (0.41) CAMK2DKDRGSK3BPIM1CA12
Trifluoroacetic Acid SCHEMBL7818314 0.80 CAMK2D (0.48) CAMK2DPIM1KDM4EALDH1A1MAPT
Trifluoroacetic Acid SCHEMBL7815071 0.80 ALDH1A1 (0.49) CAMK2DPIM1KDM4EALDH1A1MAPT
Trifluoroacetic Acid SCHEMBL8516825 0.79 CA12 (0.40) CAMK2DPIM1ALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6458792-B1 MEDICAMENT FOR THE TREATMENT OF INFLAMMATORY, IMMUNOLOGICAL, BRONCHOPULMONARY, CARDIOVASCULAR, ONCOLOGICAL OR CNS-DEGENERATIVE DISORDERS. ASTRAZENECA AB (SE) 2002-10-01 US claimed
US-6458792-B1 MEDICAMENT FOR THE TREATMENT OF INFLAMMATORY, IMMUNOLOGICAL, BRONCHOPULMONARY, CARDIOVASCULAR, ONCOLOGICAL OR CNS-DEGENERATIVE DISORDERS. ASTRAZENECA AB (SE) 2002-10-01 US disclosed
EP-1071683-A1 NEW COMPOUNDS AstraZeneca AB (SE) 2001-01-31 EP disclosed
WO-1999046264-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 1999-09-16 WO disclosed