SCHEMBL11020701

SCHEMBL11020701

Cc1[nH]c(=O)c(C#N)cc1-c1cc(-c2ccco2)no1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.50
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
HPGD P15428 5/20 0.50
ALDH1A1 P00352 5/20 0.50
GAA P10253 2/20 0.50
GALR3 O60755 1/20 0.50
BLM P54132 5/20 0.48
PDE3A Q14432 5/20 0.48
PDE3B Q13370 4/20 0.48
PDE4A P27815 2/20 0.48
TSHR P16473 2/20 0.48
RXFP1 Q9HBX9 1/20 0.48
PDE5A O76074 1/20 0.48
LMNA P02545 1/20 0.48
PTGS1 P23219 1/20 0.48
CYP2C19 P33261 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48

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
SCHEMBL11020914 0.84 HPGD (0.66) KDM4EMEN1KMT2AHPGDALDH1A1
SCHEMBL11022214 0.81 KDM4E (0.50) KDM4EMEN1KMT2AHPGDALDH1A1
SCHEMBL11021528 0.81 PDE3A (0.69) KDM4EMEN1KMT2AHPGDALDH1A1
SCHEMBL11027885 0.79 KDM4E (0.55) KDM4EMEN1KMT2AHPGDALDH1A1
SCHEMBL11021916 0.78 KDM4E (0.49) KDM4EMEN1KMT2AHPGDALDH1A1
SCHEMBL11020203 0.75 KDM4E (0.44) KDM4EMEN1KMT2AHPGDALDH1A1
SCHEMBL11021853 0.75 KDM4E (0.50) KDM4EMEN1KMT2AHPGDALDH1A1
SCHEMBL10968206 0.69 ALDH1A1 (0.41) KDM4EMEN1KMT2AHPGDALDH1A1
SCHEMBL3835079 0.68 KDM4E (0.57) KDM4EMEN1KMT2AHPGDALDH1A1
SCHEMBL11024615 0.68 KMT2A (0.83) KDM4EMEN1KMT2AHPGDALDH1A1

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