SCHEMBL7495080

SCHEMBL7495080

COc1cccc(CNC(C)=O)c1OC

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 2/20 0.59
▸ ROCK1 Q13464 1/20 0.59
▸ KMT2A Q03164 5/20 0.57
▸ MEN1 O00255 4/20 0.57
▸ MTNR1A P48039 1/20 0.56
▸ MTNR1B P49286 1/20 0.56
▸ HPGD P15428 2/20 0.56
▸ HTT P42858 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ HIF1A Q16665 1/20 0.56
▸ ATM Q13315 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ TP53 P04637 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ MAOB P27338 1/20 0.52

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
SCHEMBL2936345 0.87 KMT2A (0.60) ROCK2ROCK1KMT2AMEN1HPGD
SCHEMBL6289035 0.86 HPGD (0.58) ROCK2ROCK1KMT2AMEN1HPGD
SCHEMBL6289034 0.86 HPGD (0.58) ROCK2ROCK1KMT2AMEN1HPGD
SCHEMBL885000 0.85 MTNR1A (0.71) KMT2AMEN1MTNR1AMTNR1BHPGD
SCHEMBL1009815 0.84 MTNR1A (0.75) MTNR1AMTNR1B
SCHEMBL13853507 0.84 HIF1A (0.56) ROCK2ROCK1KMT2AMEN1HPGD
SCHEMBL7318332 0.80 ALDH1A1 (0.56) ROCK2ROCK1KMT2AMEN1HPGD
SCHEMBL5723907 0.80 MTNR1A (0.56) ROCK2MTNR1AMTNR1BALDH1A1HIF1A
SCHEMBL7000552 0.79 KDM4E (0.69) KMT2AMEN1ALDH1A1ATMKDM4E
SCHEMBL5963101 0.78 KMT2A (0.65) KMT2AMEN1ALDH1A1HIF1AATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1187613-A4 AMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2002-07-24 — — EP claimed
EP-1187613-A1 AMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2002-03-20 — — EP claimed
WO-2000076505-A1 AMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2000-12-21 — — WO claimed
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