SCHEMBL11023399

SCHEMBL11023399

CCc1[nH]c(=O)c(C#N)cc1C(=O)C(C)SC#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.43
PDE3A Q14432 2/20 0.43
KDM4E B2RXH2 12/20 0.39
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 7/20 0.37
KMT2A Q03164 6/20 0.37
MEN1 O00255 3/20 0.37
MAPK1 P28482 1/20 0.36
MAPT P10636 5/20 0.36
HPGD P15428 4/20 0.36
POLB P06746 2/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
TNKS O95271 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
RXFP1 Q9HBX9 2/20 0.34
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GLA P06280 1/20 0.32

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
SCHEMBL11019511 0.90 PDE3B (0.46) PDE3BPDE3AKDM4EHSD17B10ALDH1A1
SCHEMBL11023509 0.84 PDE3B (0.47) PDE3BPDE3AKDM4EHSD17B10ALDH1A1
SCHEMBL10856397 0.83 PDE3B (0.46) PDE3BPDE3AKDM4EHSD17B10ALDH1A1
SCHEMBL11023172 0.83 PDE3B (0.46) PDE3BPDE3AKDM4EHSD17B10ALDH1A1
SCHEMBL11020026 0.83 KDM4E (0.42) PDE3BPDE3AKDM4EHSD17B10ALDH1A1
SCHEMBL11019774 0.81 PDE3B (0.46) PDE3BPDE3AKDM4EHSD17B10ALDH1A1
SCHEMBL11023680 0.80 PDE3B (0.45) PDE3BPDE3AKDM4EHSD17B10ALDH1A1
SCHEMBL11021229 0.80 PDE3B (0.45) PDE3BPDE3AKDM4EHSD17B10ALDH1A1
SCHEMBL11024354 0.79 PDE3B (0.43) PDE3BPDE3AKDM4EHSD17B10ALDH1A1
SCHEMBL10811815 0.78 PDE3B (0.51) 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