SCHEMBL4555559

SCHEMBL4555559

O=C(Nc1cccc2c1CCC2)c1cccnc1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 4/20 0.70
▸ KDM4E B2RXH2 2/20 0.70
▸ HTT P42858 2/20 0.59
▸ ALDH1A1 P00352 4/20 0.57
▸ HDAC3 O15379 1/20 0.56
▸ HDAC1 Q13547 1/20 0.56
▸ HDAC2 Q92769 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ ALOX15 P16050 1/20 0.53
▸ MAPT P10636 1/20 0.52
▸ LMNA P02545 1/20 0.51
▸ HIF1A Q16665 1/20 0.51
▸ TSHR P16473 1/20 0.51

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
SCHEMBL28987534 0.83 L3MBTL1 (0.72) L3MBTL1KDM4EHTTALDH1A1SMN1; SMN2
SCHEMBL6054998 0.80 L3MBTL1 (0.76) L3MBTL1KDM4EALDH1A1MEN1KMT2A
SCHEMBL30908462 0.78 HDAC1 (0.54) L3MBTL1KDM4EHTTALDH1A1HDAC3
SCHEMBL30908355 0.76 HDAC1 (0.52) L3MBTL1KDM4EHTTALDH1A1HDAC3
SCHEMBL29138798 0.76 HDAC1 (0.55) L3MBTL1KDM4EHTTALDH1A1HDAC3
SCHEMBL8522419 0.75 L3MBTL1 (0.72) L3MBTL1KDM4EALDH1A1MEN1KMT2A
SCHEMBL29138800 0.75 ALDH1A1 (0.52) L3MBTL1KDM4EHTTALDH1A1HDAC3
SCHEMBL21416886 0.75 L3MBTL1 (0.60) L3MBTL1KDM4EALDH1A1MEN1KMT2A
SCHEMBL2330387 0.75 ALDH1A1 (0.73) L3MBTL1KDM4EHTTALDH1A1HDAC3
SCHEMBL21043716 0.74 L3MBTL1 (0.58) L3MBTL1KDM4EHTTALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2124557-A2 SYNERGISTIC FUNGICIDAL COMBINATIONS COMPRISING FORMONONETIN Bayer CropScience AG (DE) 2009-12-02 — — EP claimed
WO-2008092580-A2 SYNERGISTIC FUNGICIDAL COMBINATIONS COMPRISING FORMONONETIN BAYER CROPSCIENCE AG (DE) 2008-08-07 — — WO claimed
EP-2124557-A2 SYNERGISTIC FUNGICIDAL COMBINATIONS COMPRISING FORMONONETIN Bayer CropScience AG (DE) 2009-12-02 — — EP disclosed
WO-2008092580-A2 SYNERGISTIC FUNGICIDAL COMBINATIONS COMPRISING FORMONONETIN BAYER CROPSCIENCE AG (DE) 2008-08-07 — — WO disclosed
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