Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL8901557

CC(=O)Nc1ccc(C(=O)O)cc1-n1ccnc1N.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
NEU3 Q9UQ49 1/20 0.42
ALDH1A1 P00352 4/20 0.36
HPGD P15428 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPK14 Q16539 1/20 0.36
NR4A1 P22736 1/20 0.35
NR4A2 P43354 1/20 0.35
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
KDM4E B2RXH2 4/20 0.35
KDM4C Q9H3R0 2/20 0.35
KDM3A Q9Y4C1 2/20 0.35
PIK3CA P42336 1/20 0.35
KDM6B O15054 1/20 0.35
KDM1A O60341 1/20 0.35
MAOA P21397 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
SCHEMBL8900474 0.93 NEU3 (0.47) NEU3ALDH1A1HPGDMEN1KMT2A
Trifluoroacetic Acid SCHEMBL8900639 0.88 MAPT (0.38) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL8902193 0.86 ALDH1A1 (0.39) NEU3ALDH1A1HPGDMEN1KMT2A
SCHEMBL8901564 0.84 ALDH1A1 (0.34) ALDH1A1HPGDKMT2AMAPK14PIK3CA
SCHEMBL8902702 0.81 ALDH1A1 (0.42) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL8901135 0.80 ALOX15 (0.40) ALDH1A1KMT2AMAPK14MAPTHDAC1
SCHEMBL8900520 0.78 ALDH1A1 (0.43) NEU3ALDH1A1HPGDMEN1KMT2A
Trifluoroacetic Acid SCHEMBL8901207 0.78 ALDH1A1 (0.40) NEU3ALDH1A1HPGDMEN1KMT2A
Trifluoroacetic Acid SCHEMBL8894608 0.77 ADORA3 (0.40) NEU3ALDH1A1HPGDMEN1KMT2A
Trifluoroacetic Acid SCHEMBL8891099 0.76 ADORA3 (0.41) NEU3ALDH1A1HPGDMEN1KMT2A

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
WO-1997033872-A1 ANTI-VIRAL 4-ACYLAMINO-3-[IMIDAZOL-I-YL]-BENZOIC ACID DERIVATIVES BIOTA SCIENTIFIC MANAGEMENT PTY. LTD. (AU) 1997-09-18 WO disclosed