Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6978586

Cn1cc(-n2c(-c3cn(Cc4cccc(CNC(=N)N)c4)c4ccccc34)c(C#N)[nH]c2=O)c2ccccc21.O=C(O)C(F)(F)F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 10/20 0.40
F2 P00734 1/20 0.39
SIRT2 Q8IXJ6 3/20 0.34
MEN1 O00255 2/20 0.34
TP53 P04637 2/20 0.34
CYP3A4 P08684 2/20 0.34
MAPT P10636 2/20 0.34
ALOX15 P16050 2/20 0.34
TSHR P16473 2/20 0.34
MAPK1 P28482 2/20 0.34
RECQL P46063 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HIPK1 Q86Z02 2/20 0.34
SIRT1 Q96EB6 2/20 0.34
HSD17B10 Q99714 2/20 0.34
SIRT3 Q9NTG7 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
CASK O14936 1/20 0.34
CCNT1 O60563 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
SCHEMBL7674311 0.94 F10 (0.42) F10F2SIRT2MEN1TP53
Trifluoroacetic Acid SCHEMBL6981001 0.90 TPSAB1 (0.41) SIRT2PRKCBPIM1PRKCAPRKCH
Trifluoroacetic Acid SCHEMBL6986763 0.86 TPSAB1 (0.38) SIRT2MEN1TSHRKMT2ASMN1; SMN2
SCHEMBL6974638 0.83 PRKCB (0.40) SIRT2MEN1TSHRKMT2ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL6985520 0.82 PIM1 (0.36) TSHRSMN1; SMN2CCNT1PIM1CDK9
Trifluoroacetic Acid SCHEMBL6977475 0.82 CAMK2D (0.48) CCNT1PIM1RPS6KB1CDK9
Trifluoroacetic Acid SCHEMBL6982808 0.81 CAMK2D (0.46) SIRT2MEN1TP53CYP3A4MAPT
Trifluoroacetic Acid SCHEMBL6979888 0.80 PRKACA (0.41) SIRT2MEN1TP53CYP3A4MAPT
Trifluoroacetic Acid SCHEMBL6977279 0.80 CAMK2D (0.41) SIRT2MEN1TP53CYP3A4MAPT
Trifluoroacetic Acid SCHEMBL6978145 0.79 CCNT1 (0.39) MEN1KMT2ATDP1CCNT1PIM1

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 2 patents. 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
US-6346625-B1 ENZYME INHIBITORS FOR PROTEIN KINASES ASTRAZENECA AB (SE) 2002-02-12 US disclosed