SCHEMBL30908462

SCHEMBL30908462

O=C(Nc1cccc2c1C(=O)CC2)c1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.54
▸ HDAC3 O15379 1/20 0.54
▸ HDAC2 Q92769 1/20 0.54
▸ HTT P42858 2/20 0.54
▸ ALDH1A1 P00352 3/20 0.54
▸ KDM4E B2RXH2 2/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ L3MBTL1 Q9Y468 3/20 0.53
▸ ALOX15 P16050 1/20 0.52
▸ KCNK3 O14649 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ LMNA P02545 1/20 0.50
▸ HIF1A Q16665 1/20 0.50
▸ ROCK2 O75116 1/20 0.49
▸ ROCK1 Q13464 1/20 0.49
▸ KCNMA1 Q12791 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47

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
SCHEMBL4555559 0.78 L3MBTL1 (0.70) HDAC1HDAC3HDAC2HTTALDH1A1
SCHEMBL29138798 0.75 HDAC1 (0.55) HDAC1HDAC3HDAC2HTTALDH1A1
SCHEMBL30908355 0.75 HDAC1 (0.52) HDAC1HDAC3HDAC2HTTALDH1A1
SCHEMBL1612079 0.73 MAOA (0.51) ALDH1A1KDM4EL3MBTL1
SCHEMBL1520536 0.72 HDAC1 (0.70) HDAC1HDAC3HDAC2HTTALDH1A1
SCHEMBL27918500 0.71 HDAC3 (0.65) HDAC1HDAC3HDAC2HTTALDH1A1
SCHEMBL28677805 0.71 ALDH1A1 (0.78) HDAC1HDAC3HDAC2HTTALDH1A1
SCHEMBL30908319 0.71 ALDH1A1 (0.52) HDAC1HDAC3HDAC2HTTALDH1A1
SCHEMBL6175231 0.71 HDAC3 (0.73) HDAC1HDAC3HDAC2HTTALDH1A1
SCHEMBL18086514 0.71 HDAC1 (1.00) HDAC1HDAC3HDAC2HTTALDH1A1

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
WO-2024074611-A1 PRMT5 INHIBITORS Ryvu Therapeutics S.A. (PL) 2024-04-11 — — WO disclosed
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