Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL28630129

CN(C(=O)c1cc[n+](CCC(=O)O)nc1)c1ccccc1.O=C([O-])C(F)(F)F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 2/20 0.40
KDM4E B2RXH2 2/20 0.40
KMT2A Q03164 1/20 0.40
NR1H2 P55055 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
MLYCD O95822 2/20 0.36
ATM Q13315 1/20 0.36
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
HTT P42858 2/20 0.35
TSHR P16473 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
POLQ O75417 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAOA P21397 1/20 0.33
POLB P06746 1/20 0.33
PLAU P00749 1/20 0.33

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
SCHEMBL22018295 0.91 KDM4E (0.47) NR1H3KDM4EKMT2ANR1H2ATM
Bromide SCHEMBL28625205 0.90 KDM4E (0.46) NR1H3KDM4EKMT2ANR1H2ATM
Bromide SCHEMBL28625208 0.90 KDM4E (0.46) NR1H3KDM4EKMT2ANR1H2ATM
SCHEMBL28628443 0.88 KDM4E (0.46) NR1H3KDM4EKMT2ANR1H2HDAC4
SCHEMBL28630126 0.83 NR1H3 (0.39) NR1H3KDM4EKMT2ANR1H2HDAC4
SCHEMBL22018654 0.80 KDM4E (0.43) NR1H3KDM4EKMT2AATMEGFR
Bromide SCHEMBL21964158 0.79 KDM4E (0.42) NR1H3KDM4EKMT2AATMEGFR
Trifluoroacetic Acid SCHEMBL21964157 0.79 BAZ2B (0.33) HDAC4HDAC6
SCHEMBL22017867 0.78 KDM4E (0.32) KDM4EPOLB
SCHEMBL22018051 0.77 KMT2A (0.44) NR1H3KDM4EKMT2AATMEGFR

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
CN-113329629-A Herbicidal compounds 先正达农作物保护股份公司 2021-08-31 CN disclosed