SCHEMBL13580827

CC(C)(C)C1=CC(=C/N=N/c2ccc(-c3ccc(/N=N/C=C4C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C4)cc3-c3ccc(O)cc3)c(-c3ccc(O)cc3)c2)C=C(C(C)(C)C)C1=O

nearest known ligand 0.33

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	NPC1	O15118	1/20	0.33

▸	KMT2A	Q03164	1/20	0.33

▸	ATM	Q13315	1/20	0.33

▸	GPR35	Q9HC97	1/20	0.33

▸	ESR1	P03372	2/20	0.32

▸	ESR2	Q92731	2/20	0.32

▸	CA12	O43570	1/20	0.30

▸	CA2	P00918	1/20	0.30

▸	GLO1	Q04760	1/20	0.30

▸	CA9	Q16790	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
SCHEMBL13580404	0.91	—	—
SCHEMBL13580828	0.89	NPC1 (0.33)	NPC1KMT2AATMGPR35
SCHEMBL13580353	0.89	NPC1 (0.33)	NPC1KMT2AATMGPR35
SCHEMBL13580358	0.88	NPC1 (0.33)	NPC1KMT2AATMGPR35
SCHEMBL13580348	0.88	NPC1 (0.34)	NPC1KMT2AATMGPR35
SCHEMBL13580361	0.86	APP (0.34)	NPC1KMT2AATMGPR35
SCHEMBL13580362	0.86	NPC1 (0.39)	NPC1KMT2AATMGPR35
SCHEMBL13580394	0.86	PTGS2 (0.35)	NPC1KMT2AATMGPR35
SCHEMBL13580359	0.85	PTGS2 (0.38)	KMT2ACA12CA2CA9
SCHEMBL13580330	0.85	NPC1 (0.36)	NPC1KMT2AATMGPR35GLO1

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
US-20090317733-A1	Quinone Compound, Electrophotographic Photoconductor and Electrophotographic Apparatus	FUJI ELECTRIC DEVICE TECHNOLOGY CO., LTD. (JP)	2009-12-24	—	—	US	disclosed