SCHEMBL2650477

Cc1ccc(NC(=O)C(=O)Nc2nc(CNS(C)(=O)=O)c(S(C)(=O)=O)s2)c(OCC(C)C)c1.Cc1ccc(NC(=O)C(=O)Nc2nc(CNS(C)(=O)=O)c(Sc3ccccn3)s2)c(OCC(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	GRM4	Q14833	15/20	0.36

▸	SMN1; SMN2	Q16637	2/20	0.33

▸	NPC1	O15118	2/20	0.33

▸	MAPT	P10636	2/20	0.33

▸	RAB9A	P51151	2/20	0.33

▸	ALDH1A1	P00352	1/20	0.33

▸	PKM	P14618	1/20	0.32

▸	OPRK1	P41145	1/20	0.32

▸	HTT	P42858	1/20	0.32

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
SCHEMBL1343332	0.96	SMN1; SMN2 (0.35)	GRM4SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL4469082	0.89	SMN1; SMN2 (0.38)	GRM4SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL1342102	0.89	MYC (0.37)	GRM4MAPTALDH1A1
SCHEMBL1343001	0.88	GRM4 (0.37)	GRM4SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL1342228	0.88	SMN1; SMN2 (0.36)	GRM4SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL1342262	0.85	GCK (0.40)	GRM4SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL1342930	0.84	MYC (0.37)	MAPT
SCHEMBL2651429	0.83	SMN1; SMN2 (0.36)	GRM4SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL1343331	0.82	MAPT (0.35)	GRM4SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL1342464	0.82	MYC (0.33)	—

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-1531815-A1	GLUCOKINASE ACTIVATORS	NOVO NORDISK A/S (DK)	2005-05-25	—	—	EP	disclosed
WO-2004002481-A1	ARYL CARBONYL DERIVATIVES AS THERAPEUTIC AGENTS	NOVO NORDISK A/S (DK)	2004-01-08	—	—	WO	disclosed