SCHEMBL18059016

CC(C)(C)CC(=O)Cn1ccnc1CN(CCCC[C@H](NC(=O)N[C@@H](CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)Cc1nccn1CC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	CA2	P00918	14/20	0.41

▸	CA1	P00915	11/20	0.41

▸	CA9	Q16790	2/20	0.38

▸	CA12	O43570	1/20	0.38

▸	GPR35	Q9HC97	1/20	0.36

▸	HSD17B10	Q99714	1/20	0.35

▸	ALDH1A1	P00352	2/20	0.35

▸	GAA	P10253	1/20	0.35

▸	SMN1; SMN2	Q16637	1/20	0.35

▸	MMP1	P03956	1/20	0.34

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
SCHEMBL2835690	0.96	CA2 (0.45)	CA2CA1CA9CA12GPR35
SCHEMBL2835696	0.96	CA2 (0.45)	CA2CA1CA9CA12GPR35
SCHEMBL2835689	0.96	CA2 (0.45)	CA2CA1CA9CA12GPR35
SCHEMBL17685254	0.86	CA2 (0.40)	CA2CA1CA9CA12GPR35
SCHEMBL10261455	0.84	FPR2 (0.32)	CA2CA1
SCHEMBL2496830	0.81	CA1 (0.46)	CA2CA1CA9CA12HSD17B10
SCHEMBL2496817	0.81	CA1 (0.46)	CA2CA1CA9CA12HSD17B10
SCHEMBL18059015	0.81	CA2 (0.38)	CA2CA1CA9CA12
SCHEMBL2834585	0.79	FOLH1 (0.39)	ALDH1A1
SCHEMBL2834575	0.79	FOLH1 (0.39)	ALDH1A1

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-9433594-B2	Technetium- and rhenium-bis(heteroaryl) complexes and methods of use thereof	MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US)	2016-09-06	—	—	US	disclosed