SCHEMBL20548261

CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H]2O[Si](C(C)(C)C)(C(C)(C)C)OC[C@H]2O[C@H]1n1cnc2c(=O)[nH]c(NN)nc21

nearest known ligand 0.43

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	STING1	Q86WV6	14/20	0.43

▸	ALDH1A1	P00352	1/20	0.42

▸	MEN1	O00255	1/20	0.41

▸	KMT2A	Q03164	1/20	0.41

▸	PDE3B	Q13370	1/20	0.38

▸	PDE3A	Q14432	1/20	0.38

▸	TAS1R3	Q7RTX0	1/20	0.36

▸	TAS1R1	Q7RTX1	1/20	0.36

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
SCHEMBL20547506	0.90	STING1 (0.51)	STING1PDE3BPDE3A
SCHEMBL20547861	0.84	STING1 (0.41)	STING1ALDH1A1MEN1KMT2APDE3B
SCHEMBL20548048	0.83	STING1 (0.40)	STING1ALDH1A1MEN1KMT2APDE3B
SCHEMBL20547882	0.83	STING1 (0.38)	STING1ALDH1A1MEN1KMT2APDE3B
SCHEMBL20547745	0.83	STING1 (0.42)	STING1ALDH1A1MEN1KMT2APDE3B
SCHEMBL20547930	0.83	STING1 (0.39)	STING1ALDH1A1MEN1KMT2APDE3B
SCHEMBL11986887	0.83	STING1 (0.39)	STING1ALDH1A1MEN1KMT2APDE3B
SCHEMBL20547746	0.83	STING1 (0.42)	STING1ALDH1A1MEN1KMT2APDE3B
SCHEMBL20547765	0.80	STING1 (0.35)	STING1ALDH1A1PDE3BPDE3A
SCHEMBL20547866	0.79	STING1 (0.34)	STING1

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-2018198084-A1	CYCLIC DI-NUCLEOTIDE COMPOUNDS WITH TRICYCLIC NUCLEOBASES	LUPIN LIMITED (IN)	2018-11-01	—	—	WO	disclosed