SCHEMBL11019552

SCHEMBL11019552

CCCc1[nH]c(=O)c(C#N)cc1C(=O)CSC#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.47
PDE3A Q14432 2/20 0.47
KDM4E B2RXH2 8/20 0.41
HSD17B10 Q99714 3/20 0.41
ALDH1A1 P00352 9/20 0.39
KMT2A Q03164 6/20 0.39
MEN1 O00255 4/20 0.39
HPGD P15428 5/20 0.39
MAPT P10636 7/20 0.38
POLB P06746 2/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
ALOX15 P16050 1/20 0.37
CASP1 P29466 1/20 0.37
HSP90AA1 P07900 1/20 0.36
HTT P42858 1/20 0.36
DPYD Q12882 1/20 0.35
MAPK1 P28482 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL11022549 0.93 ALDH1A1 (0.42) PDE3BPDE3AKDM4EHSD17B10ALDH1A1
SCHEMBL11016822 0.90 PDE3B (0.45) PDE3BPDE3AKDM4EHSD17B10ALDH1A1
SCHEMBL10853063 0.84 PDE3B (0.51) PDE3BPDE3AKDM4EHSD17B10ALDH1A1
SCHEMBL11018929 0.84 PDE3B (0.54) PDE3BPDE3AKDM4EHSD17B10ALDH1A1
SCHEMBL11025198 0.83 PDE3B (0.50) PDE3BPDE3AKDM4EHSD17B10ALDH1A1
SCHEMBL11025183 0.83 PDE3B (0.50) PDE3BPDE3AKDM4EHSD17B10ALDH1A1
SCHEMBL11023237 0.82 KDM4E (0.45) PDE3BPDE3AKDM4EHSD17B10ALDH1A1
SCHEMBL11019329 0.81 PDE3B (0.46) PDE3BPDE3AKDM4EHSD17B10ALDH1A1
SCHEMBL26780555 0.81 PDE3B (0.53) PDE3BPDE3AKDM4EHSD17B10ALDH1A1
SCHEMBL11019511 0.78 PDE3B (0.46) PDE3BPDE3AKDM4EHSD17B10ALDH1A1

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