SCHEMBL9706937

SCHEMBL9706937

CCOC(=O)CNc1nc(Cl)nc(NCCC(C)C)n1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.59
HTT P42858 1/20 0.59
MAPK1 P28482 1/20 0.55
KMT2A Q03164 5/20 0.46
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
SLC26A6 Q9BXS9 1/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL17424052 0.87 KDM4E (0.72) KDM4EHTTMAPK1KMT2AMEN1
SCHEMBL9090652 0.84 KDM4E (0.68) KDM4EHTTMAPK1KMT2AMEN1
SCHEMBL31734137 0.84 KDM4E (0.62) KDM4EHTTMAPK1KMT2AMEN1
SCHEMBL9139377 0.84 KDM4E (0.62) KDM4EHTTMAPK1KMT2AMEN1
SCHEMBL8539269 0.83 KDM4E (0.67) KDM4EHTTMAPK1KMT2AMEN1
SCHEMBL141536 0.83 KDM4E (0.67) KDM4EHTTMAPK1KMT2AMEN1
SCHEMBL8541645 0.80 KDM4E (0.57) KDM4EHTTMAPK1KMT2AMEN1
SCHEMBL11704831 0.80 KDM4E (0.60) KDM4EHTTMAPK1KMT2AMEN1
SCHEMBL28563425 0.77 KDM4E (0.60) KDM4EHTTMAPK1KMT2AMEN1
SCHEMBL9706939 0.76 KDM4E (0.53) KDM4EHTTMAPK1KMT2AMEN1

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
WO-1992010501-A1 HERBICIDAL ETHERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-06-25 WO disclosed