SCHEMBL1069001

COc1ccc(C(OC([C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)(C(c2ccccc2)(c2ccccc2)c2ccc(OC)cc2)C(c2ccccc2)(c2ccccc2)c2ccc(OC)cc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	PRMT5	O14744	2/20	0.55

▸	WDR77	Q9BQA1	2/20	0.55

▸	ADORA1	P30542	2/20	0.54

▸	TYMP	P19971	2/20	0.51

▸	AHCY	P23526	6/20	0.48

▸	TRDMT1	O14717	1/20	0.47

▸	ADORA3	P0DMS8	1/20	0.47

▸	ADORA2B	P29275	1/20	0.47

▸	HIF1A	Q16665	1/20	0.46

▸	TMEM97	Q5BJF2	1/20	0.46

▸	SIGMAR1	Q99720	1/20	0.46

▸	CARM1	Q86X55	1/20	0.46

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
SCHEMBL10381791	0.84	ADORA1 (0.60)	PRMT5WDR77ADORA1TYMPAHCY
SCHEMBL2815316	0.82	ADORA1 (0.49)	PRMT5WDR77ADORA1TYMPAHCY
SCHEMBL16715145	0.82	ADORA1 (0.75)	ADORA1TYMPTRDMT1
SCHEMBL15993919	0.82	ADORA1 (0.75)	ADORA1TYMPTRDMT1
SCHEMBL8359104	0.82	ADORA1 (0.75)	ADORA1TYMPTRDMT1
SCHEMBL1068571	0.82	ADORA1 (0.75)	ADORA1TYMPTRDMT1
SCHEMBL8652181	0.81	PRMT5 (0.50)	PRMT5WDR77ADORA1TYMPAHCY
SCHEMBL1068356	0.80	ADORA1 (0.54)	PRMT5WDR77ADORA1TYMPAHCY
SCHEMBL5580213	0.80	ADORA1 (0.57)	PRMT5WDR77ADORA1TYMPAHCY
SCHEMBL2107506	0.79	ADORA1 (0.53)	PRMT5WDR77ADORA1TYMPAHCY

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 1 patent. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
WO-2011005595-A2	2-5A ANALOGS AND THEIR METHODS OF USE	ALIOS BIOPHARMA, INC. (US)	2011-01-13	—	—	WO	disclosed