Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6981733

Cn1cc(-n2c(-c3cn(CCCNCCCCN)c4ccccc34)c(C#N)[nH]c2=O)c2ccccc21.O=C(O)C(F)(F)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 4/20 0.42
PIM1 P11309 2/20 0.42
CCNT1 O60563 3/20 0.37
CDK9 P50750 3/20 0.37
TDP1 Q9NUW8 3/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
TP53 P04637 2/20 0.36
CYP3A4 P08684 2/20 0.36
MAPT P10636 2/20 0.36
ALOX15 P16050 2/20 0.36
TSHR P16473 2/20 0.36
MAPK1 P28482 2/20 0.36
RECQL P46063 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HIPK1 Q86Z02 2/20 0.36
SIRT2 Q8IXJ6 2/20 0.36
SIRT1 Q96EB6 2/20 0.36

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 SCHEMBL6977279 0.97 CAMK2D (0.41) CAMK2DPIM1CCNT1CDK9TDP1
Trifluoroacetic Acid SCHEMBL6982808 0.94 CAMK2D (0.46) CAMK2DPIM1CCNT1CDK9TDP1
Trifluoroacetic Acid SCHEMBL6977475 0.93 CAMK2D (0.48) CAMK2DPIM1CCNT1CDK9CCNA2
SCHEMBL7672205 0.93 CAMK2D (0.48) CAMK2DPIM1CCNT1CDK9TDP1
Trifluoroacetic Acid SCHEMBL6978145 0.92 CCNT1 (0.39) CAMK2DPIM1CCNT1CDK9TDP1
Trifluoroacetic Acid SCHEMBL6979888 0.90 PRKACA (0.41) CAMK2DPIM1CCNT1CDK9TDP1
SCHEMBL7676681 0.90 CAMK2D (0.47) CAMK2DPIM1CCNT1CDK9TDP1
Trifluoroacetic Acid SCHEMBL6978585 0.88 CCNT1 (0.40) CAMK2DPIM1CCNT1CDK9TDP1
Trifluoroacetic Acid SCHEMBL6985258 0.87 CAMK2D (0.39) CAMK2DPIM1CCNT1CDK9CCNA2
SCHEMBL6975973 0.86 CAMK2D (0.53) CAMK2DPIM1CCNT1CDK9CCNA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1095039-B1 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS ASTRAZENECA AB (SE) 2003-08-27 EP disclosed