SCHEMBL9026863

SCHEMBL9026863

CCOC(=O)c1cccc2[nH]cc(Cc3[nH]c(=O)c(CC(C)C)[n+]([O-])c3OC)c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLEC4M Q9H2X3 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 1/20 0.33
MAP3K5 Q99683 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
CDK1 P06493 1/20 0.32
CDK2 P24941 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32

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
SCHEMBL9026483 0.90 KDM4E (0.33) ALDH1A1KDM4EGAAMMP2CDK2
SCHEMBL9025829 0.79 MAPT (0.42) ALDH1A1KDM4EGAAMEN1KMT2A
SCHEMBL9026324 0.78 JAK2 (0.36) ALDH1A1KDM4EMMP2MMP3MEN1
SCHEMBL9026223 0.75 PCSK9 (0.39) MEN1KMT2ALMNAMAPT
SCHEMBL9027098 0.75 SOS2 (0.43) MAPT
SCHEMBL9026796 0.74 HTR2C (0.44) ALDH1A1KDM4EGAAMEN1KMT2A
SCHEMBL9026487 0.74 AHR (0.39) ALDH1A1KDM4EGAAMEN1KMT2A
SCHEMBL9848986 0.73 LMNA (0.32) CLEC4MMMP2MMP3LMNAMAPT
SCHEMBL9027577 0.73 MAPT (0.41) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL9026518 0.73 GPR84 (0.44)

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-0411150-B1 INDOLE DERIVATIVES, PREPARATION THEREOF, AND DRUG FOR PREVENTING AND TREATING NEPHRITIS CONTAINING SAME OTSUKA PHARMA CO LTD (JP) 1996-11-27 EP disclosed