SCHEMBL12765877

COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(NC(=O)COc5ccc(C(C)(C)C)cc5)ncnc43)[C@@H](O[Si](C)(C)C(C)(C)C)C2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	TYMP	P19971	4/20	0.39

▸	ADORA1	P30542	7/20	0.39

▸	ADORA3	P0DMS8	6/20	0.39

▸	ADORA2B	P29275	6/20	0.39

▸	DOT1L	Q8TEK3	3/20	0.37

▸	PRKAG1	P54619	1/20	0.34

▸	PRKAA1	Q13131	1/20	0.34

▸	PRKAB1	Q9Y478	1/20	0.34

▸	RNMT	O43148	1/20	0.33

▸	P2RY12	Q9H244	1/20	0.33

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
SCHEMBL1327824	0.98	TYMP (0.40)	TYMPADORA1ADORA3ADORA2BDOT1L
SCHEMBL21073914	0.92	TYMP (0.41)	TYMPADORA1PRKAG1PRKAA1PRKAB1
SCHEMBL667192	0.92	TYMP (0.41)	TYMPADORA1PRKAG1PRKAA1PRKAB1
SCHEMBL29557743	0.92	TYMP (0.41)	TYMPADORA1PRKAG1PRKAA1PRKAB1
SCHEMBL23668111	0.92	TYMP (0.41)	TYMPADORA1PRKAG1PRKAA1PRKAB1
SCHEMBL3727493	0.92	TYMP (0.42)	TYMPADORA1ADORA3ADORA2BDOT1L
SCHEMBL21305113	0.90	TYMP (0.41)	TYMPADORA1PRKAG1PRKAA1PRKAB1
SCHEMBL18937305	0.90	TYMP (0.41)	TYMPADORA1PRKAG1PRKAA1PRKAB1
SCHEMBL21073979	0.90	TYMP (0.41)	TYMPADORA1PRKAG1PRKAA1PRKAB1
SCHEMBL17304195	0.90	TYMP (0.41)	TYMPADORA1PRKAG1PRKAA1PRKAB1

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-7897758-B2	Activators for oligonucleotide and phosphoramidite synthesis	SIGMA-ALDRICH CO. (US)	2011-03-01	—	—	US	disclosed