SCHEMBL11023012

CCOC(=O)C1(C)C(=O)Nc2cc([N+](=O)[O-])c(NC(=O)c3cccnc3)cc21.CCOC(=O)C1(C)C(=O)Nc2cc([N+](=O)[O-])c(NC(=O)c3ccncc3)cc21.CCOC(=O)C1(CC)C(=O)Nc2cc([N+](=O)[O-])c(NC(=O)c3cccnc3)cc21.CCOC(=O)C1(CC)C(=O)Nc2cc([N+](=O)[O-])c(NC(=O)c3ccncc3)cc21.CCOC(=O)C1C(=O)Nc2cc([N+](=O)[O-])c(NC(=O)c3cccnc3)cc21.CCOC(=O)C1C(=O)Nc2cc([N+](=O)[O-])c(NC(=O)c3ccncc3)cc21

nearest known ligand 0.38

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	MAPT	P10636	4/20	0.38

▸	NPC1	O15118	1/20	0.38

▸	ALDH1A1	P00352	4/20	0.34

▸	KDM4E	B2RXH2	3/20	0.34

▸	TP53	P04637	1/20	0.34

▸	CYP19A1	P11511	1/20	0.32

▸	ABCB1	P08183	1/20	0.31

▸	ABCC1	P33527	1/20	0.31

▸	LMNA	P02545	1/20	0.31

▸	PKM	P14618	1/20	0.31

▸	MEN1	O00255	1/20	0.31

▸	KMT2A	Q03164	1/20	0.31

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
SCHEMBL11025025	0.96	MAPT (0.38)	MAPTNPC1ALDH1A1KDM4ETP53
SCHEMBL9831754	0.85	MAPT (0.51)	MAPTNPC1ALDH1A1KDM4ETP53
SCHEMBL9832980	0.84	MAPT (0.52)	MAPTNPC1ALDH1A1KDM4ETP53
SCHEMBL9833516	0.84	MAPT (0.52)	MAPTNPC1ALDH1A1KDM4ETP53
SCHEMBL11021640	0.84	MAPT (0.45)	MAPTNPC1ALDH1A1ABCB1ABCC1
SCHEMBL9832017	0.82	MAPT (0.51)	MAPTNPC1ALDH1A1KDM4ETP53
SCHEMBL9831783	0.82	MAPT (0.39)	MAPTNPC1ALDH1A1KDM4ELMNA
SCHEMBL9832455	0.81	MAPT (0.52)	MAPTNPC1ALDH1A1KDM4ETP53
SCHEMBL9831567	0.81	MAPT (0.52)	MAPTNPC1ALDH1A1KDM4ETP53
SCHEMBL9831476	0.81	MAPT (0.41)	MAPTNPC1ALDH1A1KDM4ELMNA

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-0161632-A2	Pyrrolo-benzimidazoles, process for their preparation, medicaments containing them and intermediates	Roche Diagnostics GmbH (DE)	1985-11-21	—	—	EP	disclosed