Trifluoroacetic Acid

SCHEMBL4252263

Cc1nn2c(=O)n(Cc3ccccc3)c(C(C(C)C)N(CCCN)C(=O)c3ccc(C(F)(F)F)cc3)cc2c1Cl.O=C(O)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	KIF11	P52732	18/20	0.48

▸	MAP1LC3B	Q9GZQ8	2/20	0.48

▸	CYP3A4	P08684	1/20	0.48

▸	CYP2C19	P33261	1/20	0.48

▸	KCNH2	Q12809	1/20	0.48

▸	KIF23	Q02241	1/20	0.47

▸	HTT	P42858	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.

Compound	similarity	top predicted	shared targets
SCHEMBL4247297	0.98	KIF11 (0.50)	KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4247294	0.98	KIF11 (0.50)	KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
Trifluoroacetic Acid SCHEMBL4254477	0.92	KIF11 (0.48)	KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
Trifluoroacetic Acid SCHEMBL4244996	0.91	KIF11 (0.57)	KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
Trifluoroacetic Acid SCHEMBL4247939	0.90	KIF11 (0.49)	KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4245623	0.90	KIF11 (0.52)	KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4245634	0.90	KIF11 (0.52)	KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4247105	0.90	KIF11 (0.59)	KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4247617	0.90	KIF11 (0.59)	KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4248068	0.90	KIF11 (0.59)	KIF11MAP1LC3BCYP3A4CYP2C19KCNH2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-2035426-A1	PYRAZOLOPYRIMIDONES	4SC AG (DE)	2009-03-18	—	—	EP	disclosed
WO-2007144384-A1	PYRAZOLOPYRIMIDONES	4SC AG (DE)	2007-12-21	—	—	WO	disclosed