SCHEMBL7861934

CC(C)(C)c1ccc(CN2C(=O)c3c(c4c5cc(F)c(F)cc5n([C@@H]5O[C@H](COCc6ccccc6)[C@@H](OCc6ccccc6)[C@H](OCc6ccccc6)[C@H]5OCc5ccccc5)c4c4[nH]c5cc(F)c(F)cc5c34)C2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	TOP1	P11387	11/20	0.42

▸	HTR1A	P08908	1/20	0.35

▸	BCHE	P06276	1/20	0.35

▸	PRKCA	P17252	2/20	0.34

▸	NQO1	P15559	1/20	0.34

▸	TP53	P04637	2/20	0.34

▸	MDM2	Q00987	2/20	0.34

▸	MDM4	O15151	1/20	0.34

▸	HSP90AA1	P07900	1/20	0.34

▸	HSP90AB1	P08238	1/20	0.34

▸	PTPN2	P17706	1/20	0.32

▸	PTPN1	P18031	1/20	0.32

▸	PTPN6	P29350	1/20	0.32

▸	CDC25A	P30304	1/20	0.32

▸	CDC25B	P30305	1/20	0.32

▸	PTPN11	Q06124	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
SCHEMBL7860505	0.94	TOP1 (0.45)	TOP1PRKCA
SCHEMBL6731712	0.93	TOP1 (0.47)	TOP1PRKCA
SCHEMBL7865331	0.90	TOP1 (0.38)	TOP1PRKCANQO1
SCHEMBL7865328	0.90	TOP1 (0.38)	TOP1PRKCANQO1
SCHEMBL7855049	0.89	TOP1 (0.43)	TOP1PRKCANQO1
SCHEMBL8192076	0.83	TOP1 (0.52)	TOP1HTR1ABCHE
SCHEMBL5870061	0.81	TOP1 (0.58)	TOP1
SCHEMBL6724824	0.80	TOP1 (0.61)	TOP1PRKCA
SCHEMBL5870514	0.80	TOP1 (0.61)	TOP1PRKCA
SCHEMBL7861913	0.78	TOP1 (0.65)	TOP1PRKCA

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-0971717-B1	CYTOTOXIC AMINO SUGAR AND RELATED SUGAR DERIVATIVES OF INDOLOPYRROLOCARBAZOLES	BRISTOL MYERS SQUIBB CO (US)	2001-12-19	—	—	EP	disclosed