SCHEMBL11022019

SCHEMBL11022019

CCCCc1[nH]c(=O)c(C#N)cc1C(=O)C(O)CC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.41
ALDH1A1 P00352 8/20 0.41
HPGD P15428 4/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
PDE3B Q13370 2/20 0.41
PDE3A Q14432 2/20 0.41
POLB P06746 3/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.35
KMT2A Q03164 5/20 0.34
MEN1 O00255 3/20 0.34
MAPT P10636 3/20 0.33
RXFP1 Q9HBX9 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL11019727 0.93 PDE3B (0.48) KDM4EALDH1A1HPGDCYP1A2CYP2D6
SCHEMBL11020962 0.89 KDM4E (0.42) KDM4EALDH1A1HPGDCYP1A2CYP2D6
SCHEMBL11019774 0.87 PDE3B (0.46) KDM4EALDH1A1HPGDPDE3BPDE3A
SCHEMBL11018903 0.87 KDM4E (0.41) KDM4EALDH1A1HPGDCYP1A2CYP2D6
SCHEMBL11018107 0.87 KDM4E (0.43) KDM4EALDH1A1HPGDCYP1A2CYP2D6
SCHEMBL11023149 0.85 KDM4E (0.41) KDM4EALDH1A1HPGDCYP1A2CYP2D6
SCHEMBL11025640 0.85 KDM4E (0.41) KDM4EALDH1A1HPGDCYP1A2CYP2D6
SCHEMBL9475077 0.83 ALDH1A1 (0.46) KDM4EALDH1A1HPGDCYP1A2CYP2D6
SCHEMBL11022787 0.81 PDE3B (0.46) KDM4EALDH1A1HPGDCYP1A2CYP2D6
SCHEMBL11021105 0.81 PDE3B (0.49) KDM4EALDH1A1HPGDPDE3BPDE3A

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