SCHEMBL1068356

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

nearest known ligand 0.54

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	ADORA1	P30542	2/20	0.54

▸	TYMP	P19971	1/20	0.51

▸	PRMT5	O14744	3/20	0.49

▸	WDR77	Q9BQA1	3/20	0.49

▸	TRDMT1	O14717	1/20	0.49

▸	AHCY	P23526	6/20	0.48

▸	CARM1	Q86X55	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

▸	NNMT	P40261	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
SCHEMBL5580213	0.90	ADORA1 (0.57)	ADORA1TYMPPRMT5WDR77TRDMT1
SCHEMBL1070759	0.89	ADORA1 (0.48)	ADORA1TYMPPRMT5WDR77TRDMT1
SCHEMBL2107506	0.89	ADORA1 (0.53)	ADORA1TYMPPRMT5WDR77TRDMT1
SCHEMBL8433551	0.87	ADORA1 (0.51)	ADORA1TYMPTRDMT1AHCYCARM1
SCHEMBL7974681	0.87	ADORA1 (0.53)	ADORA1TYMPPRMT5WDR77TRDMT1
SCHEMBL1071110	0.86	ADORA1 (0.48)	ADORA1TYMPPRMT5WDR77TRDMT1
SCHEMBL1318856	0.85	ADORA1 (0.51)	ADORA1TYMPTRDMT1AHCYCARM1
SCHEMBL9699627	0.85	ADORA1 (0.42)	ADORA1TYMPPRMT5WDR77TRDMT1
SCHEMBL8601238	0.82	ADORA1 (0.53)	ADORA1TYMPPRMT5WDR77TRDMT1
SCHEMBL8359104	0.82	ADORA1 (0.75)	ADORA1TYMPTRDMT1

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