SCHEMBL28869484

SCHEMBL28869484

CC(C)(C)OC(=O)N1CCCC1C(=O)Nc1cc(Br)cnc1N

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
USP30 Q70CQ3 3/20 0.54
NPC1 O15118 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.50
JAK2 O60674 1/20 0.47
UCHL1 P09936 4/20 0.46
SCN4A P35499 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HDAC8 Q9BY41 1/20 0.44
POLB P06746 2/20 0.44
SCN5A Q14524 1/20 0.44
SCN3A Q9NY46 1/20 0.44
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL16511611 1.00 LMNA (0.58) LMNANPSR1USP30NPC1MEN1
SCHEMBL16498824 0.84 HTT (0.44) LMNANPSR1MEN1KMT2AL3MBTL1
SCHEMBL2367182 0.84 LMNA (0.63) LMNANPSR1USP30NPC1MEN1
SCHEMBL2367183 0.84 LMNA (0.63) LMNANPSR1USP30NPC1MEN1
SCHEMBL2409650 0.83 CYP1A2 (0.49) LMNANPSR1USP30HDAC8POLB
SCHEMBL12567167 0.83 NPC1 (0.58) LMNANPSR1USP30NPC1MEN1
SCHEMBL12098332 0.82 LMNA (0.63) LMNANPSR1USP30NPC1MEN1
SCHEMBL38657837 0.82 LMNA (0.63) LMNANPSR1USP30NPC1MEN1
SCHEMBL30412218 0.82 LMNA (0.60) LMNANPSR1USP30NPC1MEN1
SCHEMBL7609243 0.82 LMNA (0.63) LMNANPSR1USP30NPC1MEN1

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104725365-B Hepatitis C virus inhibitors and its application 南京圣和药业股份有限公司 2019-02-26 CN disclosed