SCHEMBL13580349

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)c4cc(Br)ccc34)c3ccc(Br)cc23)C=C(C(C)(C)C)C1=O

nearest known ligand 0.33

Predicted protein targets (top 7)

	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

▸	BCL2	P10415	1/20	0.31

▸	S100A4	P26447	1/20	0.30

▸	SMN1; SMN2	Q16637	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
SCHEMBL13580428	0.88	NPC1 (0.36)	NPC1KMT2AATMGPR35S100A4
SCHEMBL18877735	0.85	NPC1 (0.36)	NPC1KMT2AATMGPR35SMN1; SMN2
SCHEMBL13580347	0.84	SMN1; SMN2 (0.39)	NPC1KMT2AATMGPR35SMN1; SMN2
SCHEMBL13580842	0.81	NPC1 (0.32)	NPC1KMT2AATMGPR35
SCHEMBL13580312	0.78	NPC1 (0.36)	NPC1KMT2AATMGPR35SMN1; SMN2
SCHEMBL15893569	0.77	CYP2D6 (0.36)	NPC1KMT2AATMGPR35SMN1; SMN2
SCHEMBL13580306	0.76	NPC1 (0.34)	NPC1KMT2AATMGPR35SMN1; SMN2
SCHEMBL13580311	0.76	NPC1 (0.34)	NPC1KMT2AATMGPR35SMN1; SMN2
SCHEMBL13580420	0.75	NPC1 (0.36)	NPC1KMT2AATMGPR35S100A4
SCHEMBL18877739	0.75	KMT2A (0.36)	NPC1KMT2AATMGPR35SMN1; SMN2

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