SCHEMBL9435245

CC(=O)Nc1c(Cl)cc([N+]#N)cc1Cl.CC(=O)Nc1c(Cl)cc([N+]#N)cc1Cl.CC(=O)Nc1c(Cl)cc([N+]#N)cc1Cl.CC(=O)Nc1c(Cl)cc([N+]#N)cc1Cl.CC(=O)Nc1c(Cl)cc([N+]#N)cc1Cl.CC(=O)Nc1c(Cl)cc([N+]#N)cc1Cl.CC(=O)Nc1c(Cl)cc([N+]#N)cc1Cl.CC(=O)Nc1c(Cl)cc([N+]#N)cc1Cl.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F

nearest known ligand 0.38

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	KMT2A	Q03164	3/20	0.34

▸	MEN1	O00255	2/20	0.34

▸	KDM4E	B2RXH2	4/20	0.33

▸	BACE1	P56817	3/20	0.33

▸	MAPK1	P28482	2/20	0.33

▸	CA1	P00915	1/20	0.33

▸	CA2	P00918	1/20	0.33

▸	CA9	Q16790	1/20	0.33

▸	ALDH1A1	P00352	3/20	0.33

▸	MAPT	P10636	1/20	0.33

▸	TSHR	P16473	1/20	0.33

▸	IDO1	P14902	2/20	0.31

▸	LMNA	P02545	1/20	0.31

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
SCHEMBL8794846	0.88	KDM4E (0.35)	KMT2AMEN1KDM4EBACE1MAPK1
SCHEMBL8773869	0.71	POLB (0.41)	KMT2AMEN1KDM4EBACE1MAPK1
SCHEMBL9031190	0.70	ALDH1A1 (0.49)	KMT2AMEN1KDM4EMAPK1ALDH1A1
SCHEMBL8794840	0.69	LMNA (0.54)	KMT2AMEN1KDM4EBACE1CA1
SCHEMBL7264596	0.69	KMT2A (0.54)	KMT2AMEN1ALDH1A1MAPTTSHR
SCHEMBL7810225	0.68	CA1 (0.45)	KMT2AMEN1KDM4EBACE1CA1
SCHEMBL7801589	0.67	ALDH1A1 (0.47)	KMT2AMEN1KDM4EBACE1MAPK1
SCHEMBL4342782	0.67	PDE4A (0.46)	BACE1ALDH1A1MAPTTSHRIDO1
SCHEMBL26627961	0.67	BACE1 (0.42)	KMT2AMEN1BACE1MAPK1ALDH1A1
SCHEMBL10471341	0.66	TTR (0.52)	KMT2AMEN1KDM4EMAPK1ALDH1A1

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-1994018161-A1	SUBSTITUTED PHENYL SULFONAMIDES AS SELECTIVE β3 AGONISTS FOR THE TREATMENT OF DIABETES AND OBESITY	MERCK & CO., INC. (US)	1994-08-18	—	—	WO	disclosed