SCHEMBL29664919

CC(C)C(=O)Nc1nc2c(ncn2[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)[nH]1

nearest known ligand 0.54

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	TAS1R3	Q7RTX0	2/20	0.53

▸	TAS1R1	Q7RTX1	2/20	0.53

▸	KDM4E	B2RXH2	1/20	0.48

▸	HINT1	P49773	5/20	0.43

▸	IMPDH2	P12268	5/20	0.42

▸	IMPDH1	P20839	1/20	0.42

▸	ALDH1A1	P00352	1/20	0.40

▸	HPGD	P15428	1/20	0.40

▸	PNP	P00491	1/20	0.40

▸	NT5E	P21589	1/20	0.40

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
SCHEMBL25107034	1.00	TAS1R3 (0.53)	TAS1R3TAS1R1KDM4EHINT1IMPDH2
SCHEMBL24512507	1.00	TAS1R3 (0.53)	TAS1R3TAS1R1KDM4EHINT1IMPDH2
SCHEMBL29870610	1.00	TAS1R3 (0.53)	TAS1R3TAS1R1KDM4EHINT1IMPDH2
SCHEMBL6397986	0.92	KDM4E (0.55)	TAS1R3TAS1R1KDM4EHINT1ALDH1A1
SCHEMBL6397981	0.92	KDM4E (0.55)	TAS1R3TAS1R1KDM4EHINT1ALDH1A1
SCHEMBL19491653	0.92	TAS1R3 (0.51)	TAS1R3TAS1R1KDM4EHINT1IMPDH2
SCHEMBL12714813	0.92	KDM4E (0.55)	TAS1R3TAS1R1KDM4EHINT1ALDH1A1
SCHEMBL22883219	0.92	TAS1R3 (0.62)	TAS1R3TAS1R1KDM4EHINT1IMPDH2
SCHEMBL24512513	0.92	KDM4E (0.48)	TAS1R3TAS1R1KDM4EHINT1IMPDH2
SCHEMBL24512468	0.92	KDM4E (0.48)	TAS1R3TAS1R1KDM4EHINT1IMPDH2

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-2022123501-A1	PROTECTED DEOXYDIDEHYDRO-NUCLEOSIDES	VICTORIA LINK LIMITED (NZ)	2022-06-16	—	—	WO	disclosed