SCHEMBL20405347

COc1cccc(OC)c1-c1c2nc(c(-c3cc(N=O)cc(N=O)c3)c3ccc([nH]3)c(-c3c(OC)cccc3OC)c3nc(c(-c4cc(N)cc(N)c4)c4ccc1[nH]4)C=C3)C=C2

nearest known ligand 0.39

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	TOP1	P11387	4/20	0.38

▸	ABCG2	Q9UNQ0	1/20	0.36

▸	TERT	O14746	5/20	0.35

▸	CYCS	P99999	3/20	0.34

▸	ENPP2	Q13822	1/20	0.33

▸	GRIA1	P42261	1/20	0.33

▸	CACNG8	Q8WXS5	1/20	0.33

▸	TNKS	O95271	1/20	0.32

▸	PARP1	P09874	1/20	0.32

▸	TNKS2	Q9H2K2	1/20	0.32

▸	PDE3B	Q13370	1/20	0.32

▸	PDE3A	Q14432	1/20	0.32

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
SCHEMBL18593558	0.90	TOP1 (0.45)	TOP1ABCG2TERTCYCSENPP2
SCHEMBL29408466	0.78	TERT (0.45)	TOP1ABCG2TERTCYCSENPP2
SCHEMBL9581910	0.78	TERT (0.45)	TOP1ABCG2TERTCYCSENPP2
SCHEMBL5016668	0.76	TERT (0.49)	TOP1ABCG2TERTCYCSENPP2
SCHEMBL479431	0.76	TERT (0.49)	TOP1ABCG2TERTCYCSENPP2
SCHEMBL5011964	0.76	TERT (0.49)	TOP1ABCG2TERTCYCSENPP2
SCHEMBL17251679	0.74	ABCG2 (0.41)	TOP1ABCG2TERTCYCSENPP2
SCHEMBL18593559	0.74	ABCG2 (0.41)	TOP1ABCG2TERTENPP2TNKS
SCHEMBL17251726	0.72	TOP1 (0.58)	TOP1ABCG2TERTCYCSENPP2
SCHEMBL17251677	0.71	ABCG2 (0.41)	ABCG2TERTENPP2TNKSTNKS2

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-3140312-B1	PORPHYRIN MOLECULAR CATALYSTS FOR SELECTIVE ELECTROCHEMICAL REDUCTION OF CO2 INTO CO	CENTRE NAT RECH SCIENT (FR)	2018-07-25	—	—	EP	disclosed