SCHEMBL9998326

SCHEMBL9998326

Cc1oc(-c2ccccc2)nc1CC(=O)NC(C)CN1CCN(c2ncccn2)CC1

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 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
SCHEMBL4763325 0.82 HPGD (0.50) KDM4EALDH1A1HPGD
SCHEMBL9998261 0.76 MAPT (0.49)
SCHEMBL9998442 0.75 NR4A2 (0.54) KDM4EHPGD
SCHEMBL4498016 0.72 MEN1 (0.52) KDM4EALDH1A1HPGD
SCHEMBL9998826 0.72 MEN1 (0.52) KDM4EALDH1A1HPGD
SCHEMBL13694666 0.72 KDM4E (0.61) KDM4EHPGD
SCHEMBL14260722 0.71 KDM4E (0.74) KDM4EHPGD
SCHEMBL4763412 0.69 PLK1 (0.51)
SCHEMBL10165837 0.68 KDM4E (0.74) KDM4EHPGD
SCHEMBL2407014 0.68 HDAC1 (0.52) KDM4E

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-1917262-B1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2011-12-14 EP disclosed