SCHEMBL7254352

CCCC(O[C@@H]1[C@H](OP(OCCC#N)N(C(C)C)C(C)C)[C@@H](COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)O[C@H]1n1cnc2c(NC(=O)c3ccccc3)ncnc21)n1ccnc1

nearest known ligand 0.38

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	TYMP	P19971	5/20	0.37

▸	PRMT6	Q96LA8	1/20	0.37

▸	PRKAG1	P54619	1/20	0.32

▸	PRKAA1	Q13131	1/20	0.32

▸	PRKAB1	Q9Y478	1/20	0.32

▸	ADORA1	P30542	2/20	0.32

▸	ADORA2A	P29274	1/20	0.32

▸	ADORA2B	P29275	1/20	0.32

▸	P2RY12	Q9H244	3/20	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
SCHEMBL25873876	0.89	TYMP (0.43)	TYMPPRMT6PRKAG1PRKAA1PRKAB1
SCHEMBL29581997	0.89	TYMP (0.43)	TYMPPRMT6PRKAG1PRKAA1PRKAB1
SCHEMBL26535891	0.89	TYMP (0.43)	TYMPPRMT6PRKAG1PRKAA1PRKAB1
SCHEMBL668595	0.89	TYMP (0.43)	TYMPPRMT6PRKAG1PRKAA1PRKAB1
SCHEMBL24878603	0.89	TYMP (0.43)	TYMPPRMT6PRKAG1PRKAA1PRKAB1
SCHEMBL31588239	0.88	TYMP (0.42)	TYMPPRMT6PRKAG1PRKAA1PRKAB1
SCHEMBL2258922	0.88	TYMP (0.43)	TYMPPRMT6PRKAG1PRKAA1PRKAB1
SCHEMBL7251165	0.88	TYMP (0.40)	TYMPPRMT6PRKAG1PRKAA1PRKAB1
SCHEMBL25231413	0.88	TYMP (0.40)	TYMPPRMT6PRKAG1PRKAA1PRKAB1
SCHEMBL17861065	0.88	TYMP (0.42)	TYMPPRMT6PRKAG1PRKAA1PRKAB1

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-6531584-B1	Nuclease resistant oligonucleotide analogs; DNA or RNA modulation; diagnosis, thearpy of viral diseases	ISIS PHARMACEUTICALS, INC.	2003-03-11	—	—	US	disclosed