SCHEMBL12487642

SCHEMBL12487642

COc1ccc(C(=O)c2coc3ccc([N+](=O)[O-])cc23)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.68
SMN1; SMN2 Q16637 5/20 0.68
MAPT P10636 4/20 0.68
KMT2A Q03164 6/20 0.63
RAB9A P51151 3/20 0.63
L3MBTL1 Q9Y468 2/20 0.62
MAPK1 P28482 5/20 0.61
HTT P42858 4/20 0.61
GAA P10253 2/20 0.61
NPSR1 Q6W5P4 1/20 0.61
TDP1 Q9NUW8 1/20 0.56
LMNA P02545 4/20 0.55
TSHR P16473 2/20 0.54
PAX8 Q06710 1/20 0.54
ALDH1A1 P00352 5/20 0.53
HPGD P15428 3/20 0.53
HSD17B10 Q99714 1/20 0.53
KDM4E B2RXH2 2/20 0.53
MEN1 O00255 3/20 0.52
SIRT1 Q96EB6 1/20 0.50

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
SCHEMBL18012070 0.85 NPC1 (0.85) NPC1SMN1; SMN2MAPTKMT2ARAB9A
SCHEMBL289081 0.81 NPC1 (1.00) NPC1SMN1; SMN2MAPTKMT2ARAB9A
SCHEMBL9486158 0.80 NPC1 (0.60) NPC1SMN1; SMN2MAPTKMT2ARAB9A
SCHEMBL9486597 0.79 HTT (0.87) NPC1SMN1; SMN2MAPTKMT2ARAB9A
SCHEMBL9486652 0.78 HTT (0.64) NPC1SMN1; SMN2MAPTKMT2ARAB9A
SCHEMBL17997089 0.78 NPC1 (0.77) NPC1SMN1; SMN2MAPTKMT2ARAB9A
SCHEMBL7780381 0.77 NPSR1 (0.70) NPC1SMN1; SMN2MAPTKMT2AMAPK1
SCHEMBL3764481 0.77 MAPK1 (0.70) NPC1SMN1; SMN2MAPTKMT2AL3MBTL1
SCHEMBL11850324 0.77 MAPK1 (0.70) NPC1SMN1; SMN2MAPTKMT2ARAB9A
SCHEMBL16541098 0.77 RAB9A (1.00) NPC1SMN1; SMN2MAPTKMT2ARAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2581369-A1 PREPARATION PROCESS OF DRONEDARONE AND ITS SALTS Jiangsu Hengrui Medicine Co. Ltd. (CN) 2013-04-17 EP disclosed
WO-2012120544-A2 PROCESS FOR N-[2-n-BUTYL-3-[4-[3-(DI-n-BUTYLAMINO) PROPOXY]ENZOYL]BENZOFURAN-5-YL]METHANESULFONAMIDE HYDROCHLORIDE SUN PHARMACEUTICAL INDUSTRIES LTD. (IN) 2012-09-13 WO disclosed