SCHEMBL7496063

SCHEMBL7496063

Cc1[nH]c2cccc(-c3ccccc3)c2c1C=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 1/20 0.45
MAPK9 P45984 1/20 0.45
LIMK1 P53667 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
AKT3 Q9Y243 1/20 0.45
CDK4 P11802 1/20 0.43
CCND1 P24385 1/20 0.43
ACHE P22303 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 3/20 0.38
MAPT P10636 2/20 0.38
PTGS2 P35354 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 2/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36

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
SCHEMBL21765723 0.77 CDK4 (0.60) PLK4MAPK9LIMK1CLK4AKT3
SCHEMBL30174980 0.77 CDK4 (0.60) PLK4MAPK9LIMK1CLK4AKT3
SCHEMBL28435895 0.77 CDK4 (0.47) PLK4MAPK9LIMK1CLK4AKT3
SCHEMBL6217225 0.76 FEN1 (0.41) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL250205 0.76 ERN1 (0.36) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL933390 0.76 HTR2A (0.51) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL7493525 0.76 ALDH1A1 (0.48) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL7490077 0.76 CYP2A6 (0.47) CDK4CCND1MEN1KMT2AALDH1A1
SCHEMBL11292985 0.74 MEN1 (0.40) ACHEMEN1KMT2ALMNAMAPT
SCHEMBL29655578 0.73 SLC2A1 (0.49) MEN1KMT2AALDH1A1MAPTPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1226141-A1 HETEROCYCLIC SUBSTITUTED PYRAZOLONES CEPHALON, INC. (US) 2002-07-31 EP disclosed
WO-2001032653-A1 HETEROCYCLIC SUBSTITUTED PYRAZOLONES CEPHALON, INC. (US) 2001-05-10 WO disclosed