SCHEMBL12556535

CSC1SC[C@H]2C(=O)N[C@@H](C(C)C)C(=O)OC[C@@H](NC(=O)c3cnc4ccccc4n3)C(=O)N[C@@H](C)C(=O)N(C)[C@@H]1C(=O)N(C)[C@@H](C(C)C)C(=O)OC[C@@H](NC(=O)c1cnc3ccccc3n1)C(=O)N[C@@H](C)C(=O)N2C

nearest known ligand 0.91

Predicted protein targets (top 3)

	gene	UniProt	supporting neighbours	confidence
▸	RIPK1	Q13546	3/20	0.31

▸	PPIA	P62937	3/20	0.31

▸	GNA11	P29992	1/20	0.30

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
Echinomycin SCHEMBL30725384	0.95	RIPK1 (0.32)	RIPK1
Echinomycin SCHEMBL63091	0.95	RIPK1 (0.32)	RIPK1
Echinomycin SCHEMBL18506201	0.95	RIPK1 (0.32)	RIPK1
Echinomycin SCHEMBL29529894	0.95	RIPK1 (0.32)	RIPK1
Echinomycin SCHEMBL29420869	0.95	RIPK1 (0.32)	RIPK1
Echinomycin SCHEMBL18477111	0.95	RIPK1 (0.32)	RIPK1
Echinomycin SCHEMBL13928604	0.95	RIPK1 (0.32)	RIPK1
Echinomycin SCHEMBL13464701	0.95	RIPK1 (0.32)	RIPK1
SCHEMBL20323949	0.92	RIPK1 (0.31)	RIPK1
SCHEMBL29378829	0.90	RIPK1 (0.32)	RIPK1

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
WO-2011068563-A1	USES OF HYPOXIA-INDUCIBLE FACTOR INHIBITORS	ONCOIMMUNE INC. (US)	2011-06-09	—	—	WO	disclosed