Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6691389

CCn1cc(C(=O)O)c(=O)c2c(NCCN)ccc(F)c21.O=C(O)C(F)(F)F

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 4/20 0.45
TOP1 P11387 3/20 0.45
FOXO1 Q12778 1/20 0.40
HPGD P15428 6/20 0.39
LMNA P02545 3/20 0.39
POLB P06746 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
MAP2K2 P36507 1/20 0.37
MAP2K1 Q02750 1/20 0.37
ALDH1A1 P00352 6/20 0.36
KDM4E B2RXH2 5/20 0.36
HSD17B10 Q99714 4/20 0.36
TSHR P16473 2/20 0.36
RAB9A P51151 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PIM1 P11309 1/20 0.35
ABCC4 O15439 1/20 0.35
PKM P14618 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
SCHEMBL10676197 0.77 CHRM1 (0.54) CHRM1FOXO1HPGDLMNAPOLB
SCHEMBL25069761 0.74 FOXO1 (0.66) TOP1FOXO1HPGDLMNAPOLB
SCHEMBL10673634 0.73 CHRM1 (0.46) CHRM1HPGDLMNAPOLBTAAR1
SCHEMBL6696933 0.73 CHRM1 (0.47) CHRM1FOXO1HPGDLMNAPOLB
SCHEMBL6696925 0.73 CHRM1 (0.47) CHRM1FOXO1HPGDLMNAPOLB
7-Desethyl-Norfloxacin SCHEMBL30610053 0.73 TOP1 (0.70) TOP1HPGDLMNAPOLBTAAR1
7-Desethyl-Norfloxacin SCHEMBL5551203 0.73 TOP1 (0.70) TOP1HPGDLMNAPOLBTAAR1
Trifluoroacetic Acid SCHEMBL4172072 0.72 LMNA (0.57) TOP1LMNAPOLBALDH1A1KDM4E
7-Desethyl-Norfloxacin SCHEMBL29548802 0.72 TOP1 (0.68) TOP1HPGDLMNAPOLBTAAR1
Trifluoroacetic Acid SCHEMBL3977476 0.71 LMNA (0.53) TOP1HPGDLMNAPOLBTAAR1

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-2004101589-A1 NOVEL 14 AND 15 MEMBERED-RING COMPOUNDS GLAXO GROUP LIMITED (GB) 2004-11-25 WO disclosed