SCHEMBL7767896

SCHEMBL7767896

COC(=O)Cn1c(C)cc(Cc2ccc(C#N)cc2)c(N)c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.47
ALDH1A1 P00352 7/20 0.47
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.43
RCE1 Q9Y256 1/20 0.43
TP53 P04637 1/20 0.41
HTT P42858 2/20 0.41
HSD17B10 Q99714 4/20 0.40
HPGD P15428 3/20 0.40
TSHR P16473 1/20 0.40
IDH1 O75874 1/20 0.40
KLKB1 P03952 1/20 0.39
KLK1 P06870 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SAE1 Q9UBE0 1/20 0.37
UBA2 Q9UBT2 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 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
SCHEMBL7767882 0.85 KDM4E (0.40) KDM4EALDH1A1POLBMAPK1RCE1
SCHEMBL7771929 0.83 SCN5A (0.40) KDM4EALDH1A1POLBMAPK1RCE1
SCHEMBL7767875 0.83 KDM4E (0.43) KDM4EALDH1A1POLBMAPK1RCE1
SCHEMBL7772054 0.79 FPR1 (0.41) KDM4EALDH1A1POLBMAPK1RCE1
SCHEMBL7767873 0.76 KDM4E (0.46) KDM4EALDH1A1POLBMAPK1RCE1
SCHEMBL7773814 0.76 PTGDR2 (0.45) KDM4EALDH1A1MAPK1RCE1TP53
SCHEMBL7377097 0.73 KDM4E (0.44) KDM4EALDH1A1MAPK1RCE1TSHR
SCHEMBL8117512 0.70 SCN5A (0.42)
SCHEMBL7771932 0.70 F2 (0.42) KDM4EALDH1A1POLBHSD17B10HPGD
SCHEMBL7771927 0.68 KDM4E (0.44) KDM4EALDH1A1POLBMAPK1RCE1

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
US-6252082-B1 CARDIOVASCUALR DISORDERS SANOFI-SYNTHELABO (FR) 2001-06-26 US disclosed