SCHEMBL8970099

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

nearest known ligand 0.34

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	TYMP	P19971	2/20	0.34

▸	PRKAG1	P54619	1/20	0.33

▸	PRKAA1	Q13131	1/20	0.33

▸	PRKAB1	Q9Y478	1/20	0.33

▸	ADORA1	P30542	3/20	0.33

▸	SLC29A1	Q99808	3/20	0.33

▸	ADORA2A	P29274	3/20	0.32

▸	ADORA2B	P29275	3/20	0.32

▸	TRDMT1	O14717	1/20	0.31

▸	NNMT	P40261	1/20	0.31

▸	CYP2D6	P10635	1/20	0.30

▸	CYP2C9	P11712	1/20	0.30

▸	TSHR	P16473	1/20	0.30

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
SCHEMBL6930727	0.84	KDM4E (0.38)	TYMP
SCHEMBL8583121	0.84	P2RX3 (0.39)	ADORA1TRDMT1NNMT
SCHEMBL8050028	0.81	P2RY14 (0.35)	—
SCHEMBL12803131	0.81	TYMP (0.43)	TYMPPRKAG1PRKAA1PRKAB1ADORA1
SCHEMBL12803128	0.81	TYMP (0.43)	TYMPPRKAG1PRKAA1PRKAB1ADORA1
SCHEMBL29792999	0.80	TYMP (0.50)	TYMPPRKAG1PRKAA1PRKAB1ADORA1
SCHEMBL1582963	0.79	TRDMT1 (0.34)	TYMPADORA1TRDMT1NNMT
SCHEMBL8969968	0.79	TYMP (0.44)	TYMPPRKAG1PRKAA1PRKAB1ADORA1
SCHEMBL6929037	0.79	KDM4E (0.38)	TYMP
SCHEMBL30173460	0.79	TYMP (0.34)	TYMPPRKAG1PRKAA1PRKAB1ADORA2A

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-5525719-A	N-protected-2'-O-methyl-and N-protected-3'-O-methyl-ribonucleosides and their phosphoramidite derivatives	CHEMGENES CORPORATION (US)	1996-06-11	—	—	US	disclosed