SCHEMBL16687345

SCHEMBL16687345

CCCOc1ccc(C(=O)c2c(C)oc3ccc([N+](=O)[O-])cc23)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.68
▸ MAPK1 P28482 2/20 0.68
▸ TDP1 Q9NUW8 2/20 0.68
▸ L3MBTL1 Q9Y468 1/20 0.68
▸ LMNA P02545 5/20 0.62
▸ KDM7A Q6ZMT4 1/20 0.49
▸ EIF4A1 P60842 1/20 0.48
▸ MAPT P10636 3/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ CYP2C19 P33261 2/20 0.48
▸ CYP2C9 P11712 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ POLB P06746 2/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ GAA P10253 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 3/20 0.44

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
SCHEMBL9486082 0.89 HTT (0.60) HTTMAPK1TDP1L3MBTL1LMNA
SCHEMBL15426073 0.88 HTT (0.63) HTTMAPK1TDP1L3MBTL1LMNA
SCHEMBL9486597 0.85 HTT (0.87) HTTMAPK1TDP1L3MBTL1LMNA
SCHEMBL15426103 0.84 KDM7A (0.55) HTTMAPK1TDP1L3MBTL1LMNA
SCHEMBL16363115 0.84 HTT (0.63) HTTMAPK1TDP1L3MBTL1LMNA
SCHEMBL16363114 0.83 HTT (0.60) HTTMAPK1TDP1L3MBTL1LMNA
SCHEMBL4567254 0.83 KDM5A (0.58) KDM7A
SCHEMBL17364506 0.83 HTT (0.75) HTTMAPK1TDP1L3MBTL1LMNA
SCHEMBL15426085 0.82 KDM7A (0.53) HTTMAPK1TDP1L3MBTL1LMNA
SCHEMBL9486241 0.82 HTT (0.86) HTTMAPK1TDP1L3MBTL1LMNA

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
US-9024046-B2 Reductive amination process for preparation of dronedarone using amine intermediary compound SANOFI (FR) 2015-05-05 — — US disclosed
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