SCHEMBL11023795

SCHEMBL11023795

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.46
ALDH1A1 P00352 6/20 0.46
HPGD P15428 5/20 0.46
GAA P10253 2/20 0.46
GALR3 O60755 1/20 0.46
PDE3A Q14432 4/20 0.43
PDE3B Q13370 3/20 0.43
LMNA P02545 3/20 0.43
PDE4A P27815 2/20 0.43
BLM P54132 2/20 0.43
PDE5A O76074 1/20 0.43
TSHR P16473 1/20 0.43
PTGS1 P23219 1/20 0.43
CYP2C19 P33261 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
MAPT P10636 3/20 0.42

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
SCHEMBL9475931 0.89 KDM4E (0.47) KDM4EALDH1A1HPGDGAAGALR3
SCHEMBL11024081 0.87 KDM4E (0.44) KDM4EALDH1A1HPGDGAAGALR3
SCHEMBL10858013 0.87 KDM4E (0.44) KDM4EALDH1A1HPGDGAAGALR3
SCHEMBL11023139 0.84 ALDH1A1 (0.45) KDM4EALDH1A1HPGDGAAGALR3
SCHEMBL11020026 0.83 KDM4E (0.42) KDM4EALDH1A1HPGDGAAGALR3
SCHEMBL11023389 0.82 KDM4E (0.41) KDM4EALDH1A1HPGDGAAGALR3
SCHEMBL11020327 0.81 ALDH1A1 (0.45) KDM4EALDH1A1HPGDGAAGALR3
SCHEMBL11023509 0.81 PDE3B (0.47) KDM4EALDH1A1HPGDGAAGALR3
SCHEMBL11018951 0.81 ALDH1A1 (0.48) KDM4EALDH1A1HPGDGAAGALR3
SCHEMBL11025958 0.81 ALDH1A1 (0.51) KDM4EALDH1A1HPGDGAAGALR3

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