SCHEMBL3969280

SCHEMBL3969280

CCC(C)c1oc2ccc([N+](=O)[O-])cc2c1C(=O)c1ccc(OC)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 4/20 0.60
▸ MAPK1 P28482 3/20 0.60
▸ TDP1 Q9NUW8 1/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.60
▸ LMNA P02545 4/20 0.49
▸ GAA P10253 3/20 0.48
▸ SLC22A12 Q96S37 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ PAX8 Q06710 1/20 0.44
▸ MAPT P10636 4/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ ALDH1A1 P00352 4/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ EGFR P00533 1/20 0.42
▸ IGF1R P08069 1/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ POLB P06746 1/20 0.42

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
SCHEMBL8617571 0.89 HTT (0.64) HTTMAPK1TDP1L3MBTL1LMNA
SCHEMBL5711116 0.83 SLC22A12 (0.67) HTTMAPK1TDP1L3MBTL1LMNA
SCHEMBL9486597 0.82 HTT (0.87) HTTMAPK1TDP1L3MBTL1LMNA
SCHEMBL9486161 0.81 HTT (0.62) HTTMAPK1TDP1L3MBTL1LMNA
SCHEMBL283212 0.80 MAPK1 (0.60) HTTMAPK1TDP1L3MBTL1GAA
SCHEMBL8624371 0.78 HTT (0.63) HTTMAPK1TDP1L3MBTL1LMNA
SCHEMBL9486748 0.77 L3MBTL1 (0.63) HTTMAPK1TDP1L3MBTL1LMNA
SCHEMBL9486652 0.76 HTT (0.64) HTTMAPK1TDP1L3MBTL1LMNA
SCHEMBL9485478 0.76 ESR1 (0.51) —
SCHEMBL16540789 0.73 SLC22A12 (0.58) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2200993-A2 PROCESS FOR PREPARING BENZOFURANS Cambrex Karlskoga AB (SE) 2010-06-30 — — EP claimed
WO-2009044143-A2 PROCESS FOR PREPARING BENZOFURANS CAMBREX KARLSKOGA AB (SE) 2009-04-09 — — WO claimed
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