SCHEMBL17685192

CC(C)(C)OC(=O)CCC(NC(=O)NC(CCCCNC(=O)[C@@H](N)CCCCN(Cc1nccn1CC(=O)OC(C)(C)C)Cc1nccn1CC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	TDP1	Q9NUW8	6/20	0.37

▸	ATM	Q13315	2/20	0.36

▸	NPSR1	Q6W5P4	7/20	0.35

▸	MEN1	O00255	6/20	0.35

▸	KMT2A	Q03164	6/20	0.35

▸	POLB	P06746	5/20	0.35

▸	PLK1	P53350	1/20	0.34

▸	MAPT	P10636	3/20	0.34

▸	FPR2	P25090	3/20	0.34

▸	ALDH1A1	P00352	1/20	0.33

▸	PAX8	Q06710	1/20	0.33

▸	KDM4E	B2RXH2	1/20	0.33

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
SCHEMBL1740688	1.00	TDP1 (0.37)	TDP1ATMNPSR1MEN1KMT2A
SCHEMBL1742288	0.93	TDP1 (0.34)	TDP1ATMNPSR1MEN1KMT2A
SCHEMBL15834896	0.92	TDP1 (0.37)	TDP1ATMNPSR1MEN1KMT2A
SCHEMBL17997543	0.91	FOLH1 (0.39)	—
SCHEMBL16093135	0.88	TDP1 (0.34)	TDP1ATMNPSR1MEN1KMT2A
SCHEMBL2495998	0.86	FOLH1 (0.38)	TDP1ATMNPSR1MEN1KMT2A
SCHEMBL2834575	0.86	FOLH1 (0.39)	TDP1ATMNPSR1MEN1KMT2A
SCHEMBL2834585	0.86	FOLH1 (0.39)	TDP1ATMNPSR1MEN1KMT2A
SCHEMBL2830839	0.86	FOLH1 (0.41)	TDP1NPSR1MEN1KMT2APOLB
SCHEMBL2835915	0.85	FOLH1 (0.36)	TDP1MEN1KMT2AFPR2

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-2706057-B1	Bis(imidazolyl)compounds and radionuclide complexes	MOLECULAR INSIGHT PHARM INC (US)	2016-04-20	—	—	EP	claimed