SCHEMBL9095299

SCHEMBL9095299

CCc1ccc(C(C#N)=Cc2cc(OC)c(OC)cc2OC)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.52
▸ KMT2A Q03164 6/20 0.52
▸ MAPT P10636 5/20 0.52
▸ NPSR1 Q6W5P4 4/20 0.52
▸ LMNA P02545 2/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ NQO2 P16083 2/20 0.47
▸ NQO1 P15559 1/20 0.47
▸ TDP1 Q9NUW8 3/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ PTPN7 P35236 1/20 0.45
▸ PTPN12 Q05209 1/20 0.45
▸ PTPN22 Q9Y2R2 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ RECQL P46063 2/20 0.44
▸ THRB P10828 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ POLB P06746 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ HIF1A Q16665 1/20 0.43

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
SCHEMBL9095294 1.00 MEN1 (0.52) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL9096703 0.85 MAPT (0.55) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL9096699 0.85 MAPT (0.55) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL9097464 0.83 NPSR1 (0.54) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL9094715 0.83 MAPT (0.70) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL9096678 0.83 MEN1 (0.54) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL9097760 0.83 MAPT (0.70) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL9097468 0.83 NPSR1 (0.54) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL9096675 0.83 MEN1 (0.54) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL9094705 0.83 MAPT (0.70) MEN1KMT2AMAPTNPSR1LMNA

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-5574062-A COMPOUNDS HAVE 3-ARYL AND 7-HYDROXY OR -ACYLOXY; USE TO INHIBIT 12-LIPOXYGENASE MORINAGA MILK INDUSTRY CO., LTD. (JP) 1996-11-12 — — US disclosed
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