SCHEMBL11020729

SCHEMBL11020729

Cc1[nH]c(=O)c(C#N)cc1C(=O)CC(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.52
KDM4E B2RXH2 8/20 0.52
ALDH1A1 P00352 7/20 0.52
GALR3 O60755 1/20 0.52
GAA P10253 1/20 0.52
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
KMT2A Q03164 7/20 0.44
MEN1 O00255 6/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 3/20 0.44
MAPT P10636 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
ALOX15 P16050 2/20 0.44
MAPK1 P28482 2/20 0.44
CYP3A4 P08684 2/20 0.44
CES1 P23141 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 4/20 0.41
PDE3B Q13370 2/20 0.41

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
SCHEMBL11020885 0.88 PDE3A (0.54) HPGDKDM4EALDH1A1GALR3GAA
SCHEMBL11018063 0.85 NPC1 (0.47) HPGDKDM4EALDH1A1CRHBPCRHR2
SCHEMBL11016904 0.85 CRHBP (0.50) HPGDKDM4EALDH1A1GALR3GAA
SCHEMBL7381624 0.84 KDM4E (0.57) HPGDKDM4EALDH1A1GALR3GAA
SCHEMBL11023628 0.82 KDM4E (0.44) HPGDKDM4EALDH1A1GALR3GAA
SCHEMBL11021626 0.81 ALDH1A1 (0.42) HPGDKDM4EALDH1A1GALR3GAA
SCHEMBL11021708 0.81 HPGD (0.42) HPGDKDM4EALDH1A1GALR3GAA
SCHEMBL11019327 0.80 KDM4E (0.48) HPGDKDM4EALDH1A1GALR3GAA
SCHEMBL11023428 0.80 ALDH1A1 (0.45) HPGDKDM4EALDH1A1GALR3GAA
SCHEMBL11022101 0.79 KDM4E (0.50) HPGDKDM4EALDH1A1GALR3GAA

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-0154190-A1 Pyridones MERCK PATENT GmbH (DE) 1985-09-11 EP disclosed