SCHEMBL6824978

CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2cc3ccccc3cc2C(=O)N2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)cc1.CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2cc3ccccc3cc2C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	CA12	O43570	9/20	0.48

▸	CA9	Q16790	9/20	0.48

▸	CA1	P00915	7/20	0.47

▸	BACE1	P56817	4/20	0.42

▸	SERPINE1	P05121	1/20	0.42

▸	DRD2	P14416	1/20	0.41

▸	DRD3	P35462	1/20	0.41

▸	CACNA2D1	P54289	4/20	0.41

▸	CACNB1	Q02641	4/20	0.41

▸	CACNA1B	Q00975	3/20	0.41

▸	CACNA1C	Q13936	3/20	0.41

▸	CACNA1G	O43497	2/20	0.41

▸	CACNA1A	O00555	1/20	0.40

▸	CA2	P00918	1/20	0.40

▸	CA7	P43166	1/20	0.40

▸	CA14	Q9ULX7	1/20	0.40

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
SCHEMBL6824989	0.98	CA12 (0.50)	CA12CA9CA1BACE1DRD2
SCHEMBL6824983	0.89	CA12 (0.43)	CA12CA9CA1BACE1DRD2
SCHEMBL6827341	0.86	CA12 (0.50)	CA12CA9CA1CA2
SCHEMBL6825234	0.81	CA9 (0.66)	CA12CA9CA1CA2
SCHEMBL6821696	0.78	CA9 (0.64)	CA12CA9CA1CA2
SCHEMBL6824860	0.78	CA12 (0.47)	CA12CA9CA1
SCHEMBL6349448	0.74	CA9 (0.67)	CA12CA9CA1SERPINE1CA2
SCHEMBL6827172	0.72	CA12 (0.63)	CA12CA9CA1
SCHEMBL6825144	0.71	CA9 (0.72)	CA12CA9CA1CA2
SCHEMBL6824792	0.70	CA9 (0.74)	CA12CA9CA1CA2

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-2004099127-A1	NOVEL COMPOUNDS AS KINASE INHIBITORS	NOVO NORDISK A/S (DK)	2004-11-18	—	—	WO	disclosed