Trifluoroacetic Acid

SCHEMBL5793434

CC(C)CNN(C(=O)Cc1ccccc1)c1ccnc(C#N)n1.O=C(O)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	CTSK	P43235	3/20	0.44

▸	CTSS	P25774	4/20	0.34

▸	CTSL	P07711	3/20	0.33

▸	FGFR4	P22455	1/20	0.32

▸	MEN1	O00255	2/20	0.32

▸	KMT2A	Q03164	2/20	0.32

▸	CXCR3	P49682	1/20	0.32

▸	AGTR2	P50052	1/20	0.32

▸	RPS27	P42677	1/20	0.32

▸	MAPK8	P45983	1/20	0.32

▸	MAPK9	P45984	1/20	0.32

▸	CES1	P23141	1/20	0.32

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.

Compound	similarity	top predicted	shared targets
Trifluoroacetic Acid SCHEMBL5791291	0.90	CTSK (0.38)	CTSKMEN1KMT2ACXCR3
Trifluoroacetic Acid SCHEMBL5808826	0.88	CTSK (0.37)	CTSKCTSSMAPK8MAPK9
Trifluoroacetic Acid SCHEMBL5792613	0.87	TSHR (0.39)	CTSKFGFR4MEN1KMT2AMAPK8
SCHEMBL5794212	0.85	HPGD (0.41)	CTSKCTSLFGFR4MEN1KMT2A
SCHEMBL5792562	0.84	CTSK (0.45)	CTSKCTSSCTSLFGFR4MEN1
SCHEMBL5793159	0.83	CTSK (0.36)	CTSKCTSSCTSLFGFR4KMT2A
SCHEMBL5791288	0.80	MAPK14 (0.43)	CTSKFGFR4
Trifluoroacetic Acid SCHEMBL5791900	0.79	CTSK (0.44)	CTSKCTSSCTSLFGFR4KMT2A
SCHEMBL5791044	0.79	CTSK (0.45)	CTSKCTSSCTSLFGFR4
Trifluoroacetic Acid SCHEMBL5821153	0.78	MEN1 (0.36)	CTSKMEN1KMT2A

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
WO-2006027211-A1	2,4-SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS	GLAXO GROUP LIMITED (GB)	2006-03-16	—	—	WO	disclosed