SCHEMBL11023915

SCHEMBL11023915

COc1ccc(-c2ncc(-c3cc(C#N)c(=O)[nH]c3C)[nH]2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.50
HPGD P15428 5/20 0.50
PDE3A Q14432 3/20 0.50
PDE4A P27815 2/20 0.50
BLM P54132 2/20 0.50
PDE3B Q13370 2/20 0.50
PDE5A O76074 1/20 0.50
LMNA P02545 1/20 0.50
TSHR P16473 1/20 0.50
PTGS1 P23219 1/20 0.50
CYP2C19 P33261 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50
ALDH1A1 P00352 3/20 0.49
GAA P10253 2/20 0.49
SCN2A Q99250 1/20 0.49
GALR3 O60755 1/20 0.49
CYP3A4 P08684 1/20 0.46
NFKB1 P19838 1/20 0.46

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
SCHEMBL11017816 0.86 PDE3A (0.52) KDM4EHPGDPDE3APDE4ABLM
SCHEMBL11018954 0.86 KDM4E (0.67) KDM4EHPGDPDE3APDE4ABLM
SCHEMBL11019985 0.85 PDE3A (0.70) KDM4EHPGDPDE3APDE4ABLM
SCHEMBL5480537 0.83 KDM4E (0.69) KDM4EHPGDPDE3APDE4ABLM
SCHEMBL11633622 0.81 HPGD (0.53) KDM4EHPGDALDH1A1GAASCN2A
SCHEMBL11018440 0.80 HPGD (0.56) KDM4EHPGDPDE3APDE4ABLM
SCHEMBL11018334 0.76 KDM4E (0.53) KDM4EHPGDPDE3APDE4ABLM
SCHEMBL11020274 0.75 MEN1 (0.65) KDM4EHPGDPDE3APDE4ABLM
SCHEMBL11021916 0.75 KDM4E (0.49) KDM4EHPGDPDE3APDE4ABLM
SCHEMBL11020641 0.74 PDE3A (0.53) KDM4EHPGDPDE3APDE4ABLM

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