SCHEMBL27216193

CC(C)C(=O)Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[PH](=O)O[C@@H]2[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@H]2n2cnc3c(=O)[nH]c(NC(=O)C(C)C)nc32)c(=O)[nH]1

nearest known ligand 0.56

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	KDM4E	B2RXH2	1/20	0.52

▸	TAS1R3	Q7RTX0	2/20	0.46

▸	TAS1R1	Q7RTX1	2/20	0.46

▸	HPGD	P15428	2/20	0.41

▸	ALDH1A1	P00352	1/20	0.39

▸	MEN1	O00255	1/20	0.38

▸	KMT2A	Q03164	1/20	0.38

▸	IMPDH2	P12268	4/20	0.36

▸	IMPDH1	P20839	1/20	0.36

▸	POLA1	P09884	1/20	0.36

▸	HINT1	P49773	3/20	0.36

▸	STING1	Q86WV6	1/20	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
SCHEMBL22034329	1.00	KDM4E (0.52)	KDM4ETAS1R3TAS1R1HPGDALDH1A1
SCHEMBL22034332	0.95	KDM4E (0.52)	KDM4ETAS1R3TAS1R1HPGDALDH1A1
SCHEMBL18521421	0.95	KDM4E (0.52)	KDM4ETAS1R3TAS1R1HPGDALDH1A1
SCHEMBL22326796	0.95	KDM4E (0.52)	KDM4ETAS1R3TAS1R1HPGDALDH1A1
SCHEMBL18490446	0.95	KDM4E (0.52)	KDM4ETAS1R3TAS1R1HPGDALDH1A1
SCHEMBL20434801	0.95	KDM4E (0.52)	KDM4ETAS1R3TAS1R1HPGDALDH1A1
SCHEMBL27216198	0.95	KDM4E (0.52)	KDM4ETAS1R3TAS1R1HPGDALDH1A1
SCHEMBL24181915	0.94	KDM4E (0.56)	KDM4ETAS1R3TAS1R1HPGDALDH1A1
SCHEMBL26347587	0.94	KDM4E (0.56)	KDM4ETAS1R3TAS1R1HPGDALDH1A1
SCHEMBL22434942	0.93	KDM4E (0.52)	KDM4ETAS1R3TAS1R1HPGDALDH1A1

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
EP-3334745-B1	CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS	MERCK SHARP & DOHME LLC (US)	2024-05-15	—	—	EP	disclosed