SCHEMBL11022101

SCHEMBL11022101

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.50
ALDH1A1 P00352 6/20 0.50
HPGD P15428 4/20 0.50
GAA P10253 2/20 0.50
GALR3 O60755 1/20 0.50
PDE3B Q13370 5/20 0.48
PDE3A Q14432 5/20 0.48
LMNA P02545 3/20 0.48
PDE5A O76074 1/20 0.48
TSHR P16473 1/20 0.48
PTGS1 P23219 1/20 0.48
PDE4A P27815 1/20 0.48
CYP2C19 P33261 1/20 0.48
BLM P54132 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
KMT2A Q03164 5/20 0.46
MAPT P10636 5/20 0.46
RXFP1 Q9HBX9 3/20 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
SCHEMBL9478348 0.88 ALDH1A1 (0.49) KDM4EALDH1A1HPGDGAAGALR3
SCHEMBL11017408 0.86 KDM4E (0.46) KDM4EALDH1A1HPGDGAAGALR3
SCHEMBL10853277 0.86 KDM4E (0.46) KDM4EALDH1A1HPGDGAAGALR3
SCHEMBL9476022 0.85 ALDH1A1 (0.47) KDM4EALDH1A1HPGDGAAGALR3
SCHEMBL11023628 0.85 KDM4E (0.44) KDM4EALDH1A1HPGDGAAGALR3
SCHEMBL11019851 0.84 ALDH1A1 (0.46) KDM4EALDH1A1HPGDGAAGALR3
SCHEMBL11024173 0.84 KDM4E (0.43) KDM4EALDH1A1HPGDGAAGALR3
SCHEMBL11023237 0.82 KDM4E (0.45) KDM4EALDH1A1HPGDGAAGALR3
SCHEMBL11019327 0.82 KDM4E (0.48) KDM4EALDH1A1HPGDGAAGALR3
SCHEMBL9475251 0.82 KDM4E (0.46) 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