SCHEMBL13375787

COc1ccc(C(OC[C@@H]2CC[C@H](n3cnc4c(NC(=O)c5ccc(CNC(=O)CCC(C)C)cc5)ncnc43)O2)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	ADORA3	P0DMS8	2/20	0.39

▸	ADORA2B	P29275	2/20	0.39

▸	ADORA1	P30542	2/20	0.39

▸	NR2F2	P24468	3/20	0.39

▸	TYMP	P19971	1/20	0.39

▸	PAX8	Q06710	1/20	0.38

▸	CDK5	Q00535	1/20	0.37

▸	CDK5R1	Q15078	1/20	0.37

▸	ABL1	P00519	2/20	0.37

▸	RIN1	Q13671	2/20	0.37

▸	GALR3	O60755	1/20	0.36

▸	CARM1	Q86X55	1/20	0.36

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
SCHEMBL13375789	0.91	ADORA1 (0.41)	ADORA3ADORA2BADORA1TYMPPAX8
SCHEMBL13930533	0.89	TYMP (0.47)	ADORA3ADORA2BADORA1TYMPCARM1
SCHEMBL13375774	0.89	TYMP (0.47)	ADORA3ADORA2BADORA1TYMPCARM1
SCHEMBL21158501	0.88	TYMP (0.46)	ADORA2BADORA1TYMP
SCHEMBL20691448	0.88	TYMP (0.46)	ADORA2BADORA1TYMP
SCHEMBL23772807	0.88	TYMP (0.46)	ADORA2BADORA1TYMP
SCHEMBL13375793	0.87	ADORA1 (0.36)	ADORA3ADORA2BADORA1TYMPPAX8
SCHEMBL13375795	0.85	ADORA1 (0.40)	ADORA3ADORA2BADORA1TYMPPAX8
SCHEMBL13213499	0.82	TYMP (0.35)	ADORA3ADORA2BADORA1TYMPCARM1
SCHEMBL12724728	0.81	TYMP (0.50)	ADORA3ADORA2BADORA1TYMP

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
US-8288516-B2	Functional molecule, functional molecule synthesizing amidite and target substance analysis method	FUJITSU LIMITED (JP)	2012-10-16	—	—	US	disclosed