SCHEMBL21362726

CCS(=O)(=O)Cc1ccc(C(=O)c2ccc(C[C@@H](C)O)cc2)c(-c2cn(C)c(=O)cc2[C@H](C)NCC(C)(C)C)c1

nearest known ligand 0.31

Predicted protein targets (top 2)

	gene	UniProt	supporting neighbours	confidence
▸	BRD4	O60885	2/20	0.31

▸	SCN9A	Q15858	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
SCHEMBL20157899	0.90	CNR2 (0.36)	BRD4
SCHEMBL21362728	0.85	BRD4 (0.36)	BRD4
SCHEMBL21564850	0.83	BRD4 (0.37)	BRD4
SCHEMBL21362394	0.81	BRD4 (0.39)	BRD4
SCHEMBL21352206	0.79	BRD4 (0.36)	BRD4
SCHEMBL21352183	0.79	BRD4 (0.36)	BRD4
SCHEMBL21352019	0.79	BRD4 (0.34)	BRD4
SCHEMBL20157833	0.78	BRD4 (0.31)	BRD4
SCHEMBL21354474	0.78	BRD4 (0.36)	BRD4
SCHEMBL21362108	0.78	BRD4 (0.36)	BRD4

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
EP-3539960-A1	NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF	Luoxin Pharmaceutical (Shanghai) Co., Ltd. (CN)	2019-09-18	—	—	EP	disclosed