SCHEMBL24326520

Cc1cccc(C)c1-c1cc(Cl)nc(NSc2cccc(C(=O)N3CCN(C(=O)OC(C)(C)C)[C@@H](CC(C)C)[C@@H](O)C3)c2)n1

nearest known ligand 0.33

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	PARP1	P09874	1/20	0.33

▸	EPHX2	P34913	1/20	0.32

▸	THRB	P10828	3/20	0.32

▸	LRRK2	Q5S007	1/20	0.32

▸	PADI4	Q9UM07	1/20	0.31

▸	TRPV3	Q8NET8	2/20	0.30

▸	HTT	P42858	1/20	0.30

▸	L3MBTL1	Q9Y468	1/20	0.30

▸	ACACB	O00763	1/20	0.30

▸	P2RY12	Q9H244	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
SCHEMBL24326259	1.00	PARP1 (0.33)	PARP1EPHX2THRBLRRK2PADI4
SCHEMBL29570892	0.87	TGFBR1 (0.38)	HTT
SCHEMBL29570573	0.87	TGFBR1 (0.38)	HTT
SCHEMBL29570779	0.87	TGFBR1 (0.38)	HTT
SCHEMBL24326241	0.87	TGFBR1 (0.38)	HTT
SCHEMBL24325793	0.87	TGFBR1 (0.38)	HTT
SCHEMBL24326155	0.87	TGFBR1 (0.38)	HTT
SCHEMBL24326388	0.87	TGFBR1 (0.38)	HTT
SCHEMBL29570927	0.87	TGFBR1 (0.38)	HTT
SCHEMBL24326262	0.87	ROCK2 (0.34)	—

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-2022076625-A1	MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR	VERTEX PHARMACEUTICALS INCORPORATED (US)	2022-04-14	—	—	WO	disclosed