SCHEMBL9706939

SCHEMBL9706939

CCOC(=O)CNc1nc(Cl)nc(N(CC)C(C)C)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
HTT P42858 1/20 0.53
MAPK1 P28482 1/20 0.52
GAA P10253 4/20 0.43
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 3/20 0.39
POLB P06746 1/20 0.39
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.35
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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 0.81 KDM4E (0.72) KDM4EHTTMAPK1GAAKMT2A
SCHEMBL9090652 0.81 KDM4E (0.68) KDM4EHTTMAPK1GAAKMT2A
SCHEMBL4345481 0.79 LMNA (0.56) KDM4EHTTGAAKMT2ASMN1; SMN2
SCHEMBL31734137 0.78 KDM4E (0.62) KDM4EHTTMAPK1GAAKMT2A
SCHEMBL9139377 0.78 KDM4E (0.62) KDM4EHTTMAPK1GAAKMT2A
SCHEMBL8539269 0.77 KDM4E (0.67) KDM4EHTTMAPK1GAAKMT2A
SCHEMBL141536 0.77 KDM4E (0.67) KDM4EHTTMAPK1GAAKMT2A
SCHEMBL9706937 0.76 KDM4E (0.59) KDM4EHTTMAPK1KMT2AMEN1
SCHEMBL8541645 0.74 KDM4E (0.57) KDM4EHTTMAPK1GAAKMT2A
SCHEMBL11704831 0.73 KDM4E (0.60) KDM4EHTTMAPK1GAAKMT2A

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