SCHEMBL172972

COc1c(CN2O[C@@H](CO)C[C@H]2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)cccc1-c1cccc(C(=O)N[C@@H](CC(C)C)CN(C)C)c1

nearest known ligand 0.34

Predicted protein targets (top 3)

	gene	UniProt	supporting neighbours	confidence
▸	TDP1	Q9NUW8	1/20	0.34

▸	HDAC1	Q13547	1/20	0.30

▸	HDAC2	Q92769	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
SCHEMBL10209010	0.88	TDP1 (0.32)	TDP1
SCHEMBL10208942	0.88	TDP1 (0.32)	TDP1
SCHEMBL14186096	0.88	TDP1 (0.32)	TDP1
SCHEMBL171291	0.87	TDP1 (0.32)	TDP1
SCHEMBL14215072	0.85	TDP1 (0.32)	TDP1
SCHEMBL10209229	0.83	TDP1 (0.32)	TDP1
SCHEMBL10210268	0.83	TDP1 (0.32)	TDP1
SCHEMBL12718558	0.83	TDP1 (0.32)	TDP1
SCHEMBL10210311	0.83	TDP1 (0.32)	TDP1
SCHEMBL14969939	0.82	TDP1 (0.33)	TDP1

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-1768966-B1	COUMPOUNDS AND METHODS FOR INHIBITING THE INTERACTION OF BCL PROTEINS WITH BINDING PARTNERS	INFINITY DISCOVERY INC (US)	2012-03-07	—	—	EP	disclosed