SCHEMBL9687454

SCHEMBL9687454

COc1cc(CNC(=O)c2[nH]c(=O)c(CC(C)C)[n+]([O-])c2OC)cc(OC)c1O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 1/20 0.36
PIM1 P11309 1/20 0.36
TRPV1 Q8NER1 4/20 0.34
HSD17B10 Q99714 2/20 0.34
RECQL P46063 1/20 0.34
EZH2 Q15910 1/20 0.34
PDE2A O00408 1/20 0.34
ALDH1A1 P00352 2/20 0.33
CAPN1 P07384 1/20 0.33
MAPT P10636 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL9687366 0.92 PDE2A (0.41) MEN1KMT2APDE2AALDH1A1
SCHEMBL9687392 0.90 CYP1A2 (0.46) MEN1KMT2ATRPV1HSD17B10ALDH1A1
SCHEMBL9686898 0.88 HMGCR (0.35) MEN1KMT2ATDP1RECQLALDH1A1
SCHEMBL9687941 0.83 EZH2 (0.40) MEN1KMT2AEZH2KDM4EHTT
SCHEMBL9164713 0.83 MMP13 (0.48) ALDH1A1MAPTKDM4EHTT
SCHEMBL9688033 0.80 HTT (0.49) MEN1KMT2AHSD17B10RECQLALDH1A1
SCHEMBL9687409 0.78 LMNA (0.43) MEN1KMT2AMAPTHTT
SCHEMBL9687391 0.77 HPGD (0.39) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL9686935 0.76 CNR1 (0.47) ALDH1A1MAPT
SCHEMBL9688037 0.75 TSHR (0.49) KMT2AHSD17B10ALDH1A1MAPTKDM4E

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-0511879-A1 Pyrazine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-04 EP disclosed