SCHEMBL5200823

CC(C)(C)N1C(=O)C(NCC(F)(F)F)=C(c2ccccc2)S1(=O)=O.CC(C)(C)N1C(=O)C(NCC(O)CO)=C(c2ccccc2)S1(=O)=O.CC(C)(C)N1C(=O)C(NCCC#N)=C(c2ccccc2)S1(O)O.CC(C)(C)N1C(=O)C(NCCc2ccc(OC(F)(F)F)cc2)=C(c2ccccc2)S1(=O)=O.COc1ccc(CCNC2=C(c3ccccc3)S(=O)(=O)N(C(C)C)C2=O)cc1Cl.COc1ccc(CCNC2=C(c3ccccc3)S(=O)(=O)N(C(C)C)C2=O)cc1OC

nearest known ligand 0.32

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	ALDH1A1	P00352	1/20	0.32

▸	MAPT	P10636	1/20	0.32

▸	GAA	P10253	1/20	0.32

▸	MAPK1	P28482	1/20	0.32

▸	SMN1; SMN2	Q16637	1/20	0.32

▸	L3MBTL1	Q9Y468	1/20	0.32

▸	PTGER1	P34995	1/20	0.30

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
SCHEMBL5331966	0.90	SMN1; SMN2 (0.35)	ALDH1A1MAPTGAAMAPK1SMN1; SMN2
SCHEMBL1997180	0.72	SMN1; SMN2 (0.49)	ALDH1A1MAPTGAAMAPK1SMN1; SMN2
SCHEMBL1998299	0.70	NR1H2 (0.44)	ALDH1A1MAPT
SCHEMBL2003485	0.70	SMN1; SMN2 (0.54)	ALDH1A1MAPTGAAMAPK1SMN1; SMN2
SCHEMBL1999789	0.65	NR1H2 (0.49)	SMN1; SMN2
SCHEMBL1997881	0.63	TOP2A (0.42)	ALDH1A1MAPTGAAMAPK1SMN1; SMN2
SCHEMBL2001465	0.62	ABCB1 (0.39)	ALDH1A1MAPT
SCHEMBL2000315	0.62	NR1H2 (0.53)	—
SCHEMBL2001466	0.62	NR1H2 (0.45)	ALDH1A1MAPT
SCHEMBL5308618	0.62	NR1H2 (0.36)	ALDH1A1MAPTMAPK1

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-1838687-A1	NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS	AstraZeneca AB (SE)	2007-10-03	—	—	EP	claimed
WO-2006073366-A1	NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS	ASTRAZENECA AB (SE)	2006-07-13	—	—	WO	claimed