SCHEMBL9094705

SCHEMBL9094705

COc1cc(OC)c(OC)cc1/C=C(\C#N)c1ccc(Br)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.70
▸ MEN1 O00255 4/20 0.70
▸ KMT2A Q03164 4/20 0.70
▸ NPSR1 Q6W5P4 3/20 0.70
▸ LMNA P02545 2/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ TDP1 Q9NUW8 2/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ NQO2 P16083 2/20 0.49
▸ NQO1 P15559 1/20 0.49
▸ KDM4E B2RXH2 2/20 0.47
▸ RECQL P46063 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ HIF1A Q16665 1/20 0.44
▸ EGFR P00533 1/20 0.44
▸ PDGFRB P09619 1/20 0.44
▸ PDGFRA P16234 1/20 0.44
▸ TUBB4A P04350 3/20 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
SCHEMBL9094715 1.00 MAPT (0.70) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL17205328 0.97 MAPT (0.73) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL17205327 0.97 MAPT (0.73) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL9096699 0.87 MAPT (0.55) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL9096703 0.87 MAPT (0.55) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL9097464 0.86 NPSR1 (0.54) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL9097760 0.86 MAPT (0.70) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL9096675 0.86 MEN1 (0.54) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL9097468 0.86 NPSR1 (0.54) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL9096678 0.86 MEN1 (0.54) MAPTMEN1KMT2ANPSR1LMNA

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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