Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5658221

COc1ccc(Br)cc1CC(N)=O.O=C(O)C(F)(F)F

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.48
ALDH1A1 P00352 6/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TDP1 Q9NUW8 3/20 0.45
HSD17B10 Q99714 2/20 0.44
POLB P06746 1/20 0.43
LMNA P02545 2/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
USP2 O75604 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
ALOX15 P16050 1/20 0.42
CASP1 P29466 1/20 0.42
HTT P42858 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL4723016 0.90 KDM4E (0.52) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL5076869 0.80 SMN1; SMN2 (0.53) KDM4EMEN1KMT2ASMN1; SMN2TDP1
SCHEMBL154368 0.79 HSD17B10 (0.68) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL5657613 0.78 ABL1 (0.51) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL29002583 0.78 PYCR1 (0.46) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL16293655 0.78 KDM4E (0.52) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL6424557 0.77 LDHA (0.53) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL3659915 0.76 HSD17B10 (0.50) ALDH1A1MEN1KMT2ASMN1; SMN2HSD17B10
SCHEMBL6307470 0.76 CYP3A4 (0.61) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL137400 0.75 KDM4E (0.56) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2

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
US-7309701-B2 Pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-12-18 US disclosed