Trifluoromethanesulfonic Acid

SCHEMBL5809482

CN1CC=CN1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1.O=S(=O)(O)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	TGM2	P21980	12/20	0.39

▸	F13A1	P00488	9/20	0.39

▸	TGM1	P22735	6/20	0.38

▸	MAPT	P10636	1/20	0.37

▸	STS	P08842	2/20	0.37

▸	USP2	O75604	1/20	0.35

▸	SMN1; SMN2	Q16637	1/20	0.35

▸	GPR119	Q8TDV5	2/20	0.35

▸	TGM3	Q08188	1/20	0.35

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
SCHEMBL2247362	0.74	USP2 (0.49)	TGM2F13A1TGM1MAPTSTS
Trifluoromethanesulfonic Acid SCHEMBL5003105	0.71	GPR119 (0.43)	TGM2F13A1TGM1MAPTGPR119
SCHEMBL24762649	0.69	USP2 (0.44)	TGM2F13A1TGM1STSUSP2
SCHEMBL9609367	0.68	USP2 (0.42)	TGM2F13A1TGM1MAPTSTS
SCHEMBL56379	0.67	USP2 (0.53)	TGM2F13A1TGM1STSUSP2
SCHEMBL7406478	0.67	USP2 (0.53)	TGM2F13A1TGM1STSUSP2
SCHEMBL1487081	0.67	USP2 (0.53)	TGM2F13A1TGM1STSUSP2
SCHEMBL5000162	0.67	SMN1; SMN2 (0.68)	TGM2F13A1TGM1USP2SMN1; SMN2
SCHEMBL31170642	0.66	GPR119 (0.44)	TGM2F13A1TGM1STSUSP2
SCHEMBL698803	0.66	USP2 (0.69)	MAPTUSP2SMN1; SMN2GPR119

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-1638942-A1	CIS-2,4,5-TRIARYL-IMIDAZOLINES	F. HOFFMANN-LA ROCHE AG (CH)	2006-03-29	—	—	EP	disclosed
WO-2005003097-A1	CIS-2,4,5-TRIARYL-IMIDAZOLINES	F. HOFFMANN-LA ROCHE AG (CH)	2005-01-13	—	—	WO	disclosed