Trifluoroacetic Acid

SCHEMBL5592914

CC(C)CN(NC(=O)c1ccc(-c2cccc(CN3CCN(C)CC3)c2)nc1)c1nc(C#N)ncc1Br.O=C(O)C(F)(F)F

nearest known ligand 0.69

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	CTSL	P07711	2/20	0.69

▸	CTSS	P25774	2/20	0.69

▸	CTSK	P43235	2/20	0.69

▸	CTSB	P07858	1/20	0.69

▸	MCHR1	Q99705	2/20	0.41

▸	HTR2C	P28335	1/20	0.41

▸	SLC2A1	P11166	4/20	0.41

▸	PRKAA2	P54646	1/20	0.38

▸	KISS1R	Q969F8	2/20	0.36

▸	ALK	Q9UM73	6/20	0.35

▸	CSF1R	P07333	1/20	0.34

▸	KIT	P10721	1/20	0.34

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
SCHEMBL8242630	0.95	CTSL (0.76)	CTSLCTSSCTSKCTSBMCHR1
Trifluoroacetic Acid SCHEMBL5592953	0.91	CTSL (0.68)	CTSLCTSSCTSKCTSBSLC2A1
Trifluoroacetic Acid SCHEMBL3319243	0.88	CTSS (0.90)	CTSLCTSSCTSKCTSBSLC2A1
SCHEMBL5593048	0.87	CTSL (0.85)	CTSLCTSSCTSKCTSBMCHR1
SCHEMBL5593158	0.86	CTSL (0.74)	CTSLCTSSCTSKCTSBKISS1R
Trifluoroacetic Acid SCHEMBL5592904	0.86	CTSL (0.66)	CTSLCTSSCTSKCTSBSLC2A1
SCHEMBL5592896	0.83	CTSS (1.00)	CTSLCTSSCTSKCTSBALK
Trifluoroacetic Acid SCHEMBL5592848	0.83	CTSL (0.79)	CTSLCTSSCTSKCTSBSLC2A1
Trifluoroacetic Acid SCHEMBL5592621	0.82	CTSL (0.78)	CTSLCTSSCTSKCTSBMCHR1
SCHEMBL5592566	0.80	CTSL (0.73)	CTSLCTSSCTSKCTSB

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-2007025775-A2	CYSTEINE PROTEASE INHIBITORS	GLAXO GROUP LIMITED (GB)	2007-03-08	—	—	WO	claimed