SCHEMBL2221435

COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](OCc3ccccc3)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	TYMP	P19971	5/20	0.43

▸	ADORA1	P30542	2/20	0.42

▸	TRDMT1	O14717	1/20	0.38

▸	NT5E	P21589	1/20	0.38

▸	DOT1L	Q8TEK3	1/20	0.38

▸	CARM1	Q86X55	2/20	0.38

▸	NNMT	P40261	1/20	0.36

▸	PDE2A	O00408	1/20	0.36

▸	AHCY	P23526	2/20	0.35

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
SCHEMBL12803131	0.93	TYMP (0.43)	TYMPADORA1DOT1LCARM1
SCHEMBL12803128	0.93	TYMP (0.43)	TYMPADORA1DOT1LCARM1
SCHEMBL12515450	0.91	TYMP (0.40)	TYMPADORA1DOT1LCARM1PDE2A
SCHEMBL12803390	0.91	TYMP (0.40)	TYMPADORA1DOT1LCARM1PDE2A
SCHEMBL12936698	0.90	TYMP (0.57)	TYMPADORA1PDE2A
SCHEMBL12515448	0.90	TYMP (0.57)	TYMPADORA1PDE2A
SCHEMBL24191301	0.90	ADORA1 (0.43)	TYMPADORA1TRDMT1NT5EDOT1L
SCHEMBL12964409	0.90	TYMP (0.41)	TYMPADORA1DOT1L
SCHEMBL12803158	0.90	TYMP (0.41)	TYMPADORA1DOT1L
SCHEMBL12803159	0.90	TYMP (0.41)	TYMPADORA1DOT1L

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-2011084345-A1	A METHOD FOR RAPIDLY EVALUATING PERFORMANCE OF SHORT INTERFERING RNA WITH NOVEL CHEMICAL MODIFICATIONS	MERCK SHARP & DOHME CORP. (US)	2011-07-14	—	—	WO	disclosed