SCHEMBL2650890

COc1ccccc1C(=O)c1cc(C)ccc1NC(=O)N(c1ncc(CN(C)C)s1)N(C(=O)Nc1ncc(CN2CCNCC2)s1)c1ccc(C)cc1C(=O)c1ccccc1OC

nearest known ligand 0.41

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	POLB	P06746	1/20	0.41

▸	OGA	O60502	12/20	0.39

▸	SMN1; SMN2	Q16637	2/20	0.35

▸	HTT	P42858	1/20	0.35

▸	CHRM3	P20309	1/20	0.34

▸	TP53	P04637	1/20	0.34

▸	GAA	P10253	1/20	0.34

▸	ALDH1A1	P00352	1/20	0.34

▸	MAPK1	P28482	1/20	0.34

▸	ACKR3	P25106	1/20	0.33

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
SCHEMBL2650893	0.88	OGA (0.43)	POLBOGASMN1; SMN2HTTCHRM3
SCHEMBL6695257	0.82	OGA (0.47)	POLBOGASMN1; SMN2HTTCHRM3
SCHEMBL6696280	0.77	TP53 (0.49)	SMN1; SMN2HTTTP53GAAALDH1A1
SCHEMBL2651526	0.75	ALDH1A1 (0.34)	POLBSMN1; SMN2HTTCHRM3TP53
SCHEMBL1343417	0.75	SMN1; SMN2 (0.53)	POLBOGASMN1; SMN2HTTTP53
SCHEMBL2649375	0.74	OGA (0.48)	POLBOGASMN1; SMN2HTTTP53
SCHEMBL1343431	0.74	OGA (0.48)	POLBOGASMN1; SMN2HTTTP53
SCHEMBL6697295	0.74	OGA (0.49)	POLBOGASMN1; SMN2HTTTP53
SCHEMBL6697150	0.73	OGA (0.47)	POLBOGASMN1; SMN2HTTTP53
SCHEMBL6696934	0.72	OGA (0.46)	POLBOGASMN1; SMN2HTTTP53

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