SCHEMBL13495277

O=C(c1ccc(-c2c3nc(c(-c4ccc(C(=O)N5CCCO5)cc4)c4ccc([nH]4)c(-c4ccc(C(=O)N5CCCO5)cc4)c4nc(c(-c5ccc(C(=O)N6CCCO6)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1)N1CCCO1

nearest known ligand 0.58

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	TOP1	P11387	4/20	0.58

▸	CYCS	P99999	4/20	0.56

▸	ENPP2	Q13822	1/20	0.49

▸	ABCG2	Q9UNQ0	1/20	0.44

▸	TERT	O14746	4/20	0.40

▸	PIK3CA	P42336	1/20	0.36

▸	MTOR	P42345	1/20	0.36

▸	ALDH1A1	P00352	1/20	0.36

▸	RIPK1	Q13546	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
SCHEMBL29354037	0.74	TOP1 (1.00)	TOP1CYCSENPP2ABCG2TERT
SCHEMBL709532	0.74	TOP1 (1.00)	TOP1CYCSENPP2ABCG2TERT
SCHEMBL3047596	0.73	TOP1 (0.97)	TOP1CYCSENPP2ABCG2TERT
SCHEMBL31463632	0.73	TOP1 (0.97)	TOP1CYCSENPP2ABCG2TERT
SCHEMBL31463629	0.73	TOP1 (0.97)	TOP1CYCSENPP2ABCG2TERT
SCHEMBL19640853	0.73	CYCS (1.00)	TOP1CYCSENPP2ABCG2TERT
SCHEMBL17183606	0.73	TOP1 (0.97)	TOP1CYCSENPP2ABCG2TERT
SCHEMBL1497141	0.73	TOP1 (0.97)	TOP1CYCSENPP2ABCG2TERT
SCHEMBL12842181	0.73	CYCS (0.97)	TOP1CYCSENPP2ABCG2TERT
Hydrochloric Acid SCHEMBL17002623	0.73	TOP1 (0.97)	TOP1CYCSENPP2ABCG2TERT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-20100035013-A1	OPTICAL RECORDING MEDIUM	MITSUBISHI KAGAKU MEDIA CO., LTD. (JP)	2010-02-11	—	—	US	disclosed
US-20100035013-A1	OPTICAL RECORDING MEDIUM	MITSUBISHI KAGAKU MEDIA CO., LTD. (JP)	2010-02-11	—	—	US	disclosed