Trifluoroacetic Acid

SCHEMBL7876019

Cc1[nH]c(=O)c(NCC(F)(F)c2ccccc2)nc1CC(=O)NCCONC(=N)N.O=C(O)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	F2	P00734	20/20	0.45

▸	PRSS1	P07477	6/20	0.45

▸	PRSS2	P07478	3/20	0.45

▸	PRSS3	P35030	3/20	0.45

▸	F10	P00742	2/20	0.45

▸	PLAT	P00750	1/20	0.45

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
SCHEMBL7874352	0.98	F2 (0.46)	F2PRSS1PRSS2PRSS3F10
Trifluoroacetic Acid SCHEMBL7874359	0.90	TPSAB1 (0.38)	F2PRSS1PRSS2PRSS3
SCHEMBL7874301	0.89	F2 (0.37)	F2PRSS1PRSS2PRSS3F10
Trifluoroacetic Acid SCHEMBL7867232	0.86	F2 (0.41)	F2PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL7872457	0.86	F2 (0.37)	F2PRSS1PRSS2PRSS3F10
SCHEMBL7876212	0.85	F2 (0.38)	F2PRSS1PRSS2PRSS3F10
Trifluoroacetic Acid SCHEMBL7878685	0.85	F2 (0.35)	F2PRSS1PRSS2PRSS3F10
Trifluoroacetic Acid SCHEMBL7867367	0.85	F2 (0.39)	F2PRSS1
Trifluoroacetic Acid SCHEMBL7872481	0.84	F2 (0.45)	F2PRSS1PRSS2PRSS3
SCHEMBL7878630	0.84	KDM4E (0.40)	F2PRSS1PRSS2PRSS3

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-1086122-A1	PYRAZINONE PROTEASE INHIBITORS	Johnson & Johnson Pharmaceutical Research & Development, L.L.C. (US)	2001-03-28	—	—	EP	disclosed
WO-1999064446-A1	PYRAZINONE PROTEASE INHIBITORS	3-DIMENSIONAL PHARMACEUTICALS, INC. (US)	1999-12-16	—	—	WO	disclosed