SCHEMBL11021708

SCHEMBL11021708

Cc1[nH]c(=O)c(C#N)cc1C(=O)CC(=O)c1cccs1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.42
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 4/20 0.42
GAA P10253 3/20 0.42
GALR3 O60755 1/20 0.42
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
NPSR1 Q6W5P4 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
ERCC5 P28715 1/20 0.41
FEN1 P39748 1/20 0.41
LMNA P02545 4/20 0.41
TSHR P16473 2/20 0.41
CYP2C19 P33261 2/20 0.41
PDE5A O76074 1/20 0.41
PTGS1 P23219 1/20 0.41
PDE4A P27815 1/20 0.41
BLM P54132 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 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
SCHEMBL11017849 0.86 PDE3B (0.45) HPGDALDH1A1KDM4EGAAMEN1
SCHEMBL10810260 0.85 ALDH1A1 (0.46) HPGDALDH1A1KDM4EGAAGALR3
SCHEMBL11020729 0.81 HPGD (0.52) HPGDALDH1A1KDM4EGAAGALR3
SCHEMBL11020885 0.79 PDE3A (0.54) HPGDALDH1A1KDM4EGAAGALR3
SCHEMBL11023628 0.79 KDM4E (0.44) HPGDALDH1A1KDM4EGAAGALR3
SCHEMBL11021626 0.77 ALDH1A1 (0.42) HPGDALDH1A1KDM4EGAAGALR3
SCHEMBL11019327 0.76 KDM4E (0.48) HPGDALDH1A1KDM4EGAAGALR3
SCHEMBL11023428 0.76 ALDH1A1 (0.45) HPGDALDH1A1KDM4EGAAGALR3
SCHEMBL11022101 0.76 KDM4E (0.50) HPGDALDH1A1KDM4EGAAGALR3
SCHEMBL9478348 0.76 ALDH1A1 (0.49) HPGDALDH1A1KDM4EGAAGALR3

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