SCHEMBL29110126

SCHEMBL29110126

COc1ccc(NC(=O)c2cccc3c2oc2ccccc23)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.60
▸ MEN1 O00255 6/20 0.58
▸ KMT2A Q03164 6/20 0.58
▸ AHR P35869 1/20 0.58
▸ NPC1 O15118 2/20 0.58
▸ RAB9A P51151 2/20 0.58
▸ HDAC1 Q13547 1/20 0.57
▸ HDAC8 Q9BY41 1/20 0.57
▸ HDAC6 Q9UBN7 1/20 0.57
▸ HIF1A Q16665 1/20 0.56
▸ ALDH1A1 P00352 5/20 0.56
▸ MAPT P10636 5/20 0.56
▸ TSHR P16473 4/20 0.56
▸ NPSR1 Q6W5P4 2/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ METAP2 P50579 1/20 0.55
▸ GAA P10253 2/20 0.54
▸ PNLIP P16233 1/20 0.54
▸ POLB P06746 1/20 0.54
▸ LMNA P02545 1/20 0.54

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
SCHEMBL13451640 0.79 MEN1 (0.73) MEN1KMT2AAHRNPC1RAB9A
SCHEMBL6222503 0.77 CFTR (0.54) MAOBMEN1KMT2ANPC1RAB9A
SCHEMBL516174 0.77 KDM4E (0.53) KMT2ANPC1RAB9AHDAC1HDAC8
SCHEMBL13665200 0.76 MAPT (0.70) MAOBMEN1KMT2ANPC1RAB9A
SCHEMBL2183803 0.75 PSEN1 (0.49) HDAC1HDAC8HDAC6
SCHEMBL976167 0.75 HDAC8 (0.59) HDAC1HDAC8HDAC6HIF1AALDH1A1
SCHEMBL516118 0.75 ALOX5 (0.52) MAOBHDAC1HDAC8HDAC6ALDH1A1
SCHEMBL12501713 0.75 KMT2A (0.78) MAOBMEN1KMT2ANPC1RAB9A
SCHEMBL679452 0.75 CA12 (0.56) MEN1KMT2ANPC1RAB9AHDAC1
SCHEMBL14825579 0.75 ALOX5 (0.48) MAOBMEN1KMT2AAHRNPC1

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-116903493-A Method for synthesizing polysubstituted o-phenylphenol compound through nucleophilic reaction ring opening of dibenzofuran 华南理工大学 2023-10-20 — — CN disclosed
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