Lurtotecan

SCHEMBL1649336

CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc3c(cc1c2CN1CCN(C)CC1)OCCO3.[Cl-].[Cl-].[H+].[H+]

nearest known ligand 0.97

Known targets — ChEMBL curated mechanism

ACHE BDKRB2 CHRM1 CHRM2 CHRM3 CHRNA1 CHRNB1 CHRND CHRNE CHRNG GUCY1A1 GUCY1A2 GUCY1B1 GUCY1B2 NAMPT PTAFR SLC10A2 SLC6A2 SLC6A3 TACR1 dacA dacB dacC ftsI mrcA mrcB mrdA

The experimentally established mechanism targets of Lurtotecan. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 2)

	gene	UniProt	supporting neighbours	confidence
▸	TOP1	P11387	19/20	0.97

▸	SLC2A1	P11166	1/20	0.71

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
Lurtotecan SCHEMBL19208	0.98	TOP1 (1.00)	TOP1SLC2A1
Lurtotecan SCHEMBL13992	0.98	TOP1 (1.00)	TOP1SLC2A1
Lurtotecan SCHEMBL29774186	0.98	TOP1 (1.00)	TOP1SLC2A1
Lurtotecan SCHEMBL1649335	0.98	TOP1 (0.98)	TOP1SLC2A1
Lurtotecan SCHEMBL29379042	0.98	TOP1 (0.98)	TOP1SLC2A1
SCHEMBL31312371	0.94	TOP1 (1.00)	TOP1SLC2A1
SCHEMBL21410041	0.94	TOP1 (1.00)	TOP1SLC2A1
SCHEMBL21450469	0.94	TOP1 (1.00)	TOP1SLC2A1
SCHEMBL15150090	0.92	TOP1 (0.87)	TOP1SLC2A1
SCHEMBL17057475	0.91	TOP1 (0.86)	TOP1SLC2A1

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-7927613-B2	Pharmaceutical co-crystal compositions	UNIVERSITY OF SOUTH FLORIDA (US)	2011-04-19	—	—	US	disclosed
US-7790905-B2	Pharmaceutical propylene glycol solvate compositions	MCNEIL-PPC, INC. (US)	2010-09-07	—	—	US	disclosed