SCHEMBL10772188

SCHEMBL10772188

COc1ccc(/C2=C(\O)C(=O)Nc3cccc4cccc(c34)S2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 7/20 0.44
▸ MEN1 O00255 6/20 0.44
▸ KMT2A Q03164 6/20 0.44
▸ ALDH1A1 P00352 5/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ MAPT P10636 6/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ HTT P42858 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ POLB P06746 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ NTRK1 P04629 1/20 0.38
▸ NTRK2 Q16620 1/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ TTR P02766 1/20 0.38
▸ LRRK2 Q5S007 1/20 0.38
▸ ME2 P23368 1/20 0.37
▸ ME1 P48163 1/20 0.37

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
SCHEMBL9171801 0.73 MAPT (0.54) GAAMEN1KMT2AALDH1A1MAPT
SCHEMBL9428983 0.71 L3MBTL1 (0.51) GAAMEN1KMT2AALDH1A1CYP1A2
SCHEMBL5020109 0.71 MEN1 (0.49) GAAMEN1KMT2AALDH1A1MAPT
SCHEMBL10733538 0.67 KDM4E (0.55) GAAMEN1KMT2AALDH1A1CYP1A2
SCHEMBL10730382 0.67 KDM4E (0.55) GAAMEN1KMT2AALDH1A1CYP1A2
SCHEMBL10636998 0.65 SNCA (0.49) GAAMEN1KMT2AALDH1A1MAPT
SCHEMBL8970941 0.63 GAA (0.40) GAAMEN1KMT2AALDH1A1CYP1A2
SCHEMBL7430660 0.62 MEN1 (0.52) GAAMEN1KMT2AALDH1A1CYP1A2
SCHEMBL14709398 0.62 GAA (1.00) GAAMEN1KMT2AALDH1A1CYP1A2
Phenothiazine SCHEMBL6899934 0.61 NOX1 (0.69) GAAMEN1KMT2AALDH1A1CYP1A2

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
EP-0239050-A1 2,3-Dihydro-2-phenyl-5-aminoalkyl-naphto ¬1,8-bc -1,5-thiazocin-4 (5H)-one derivatives F. HOFFMANN-LA ROCHE AG (CH) 1987-09-30 — — EP claimed
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