SCHEMBL9687366

SCHEMBL9687366

COc1cc(CNC(=O)c2[nH]c(=O)c(CC(C)C)[n+]([O-])c2OC)cc(OC)c1OC

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.41
LDHA P00338 1/20 0.39
TSHR P16473 1/20 0.39
MAPK10 P53779 1/20 0.39
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 3/20 0.36
LMNA P02545 1/20 0.36
PDE7A Q13946 1/20 0.36
PDE3A Q14432 1/20 0.36
MEN1 O00255 2/20 0.35
ABCB1 P08183 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NAMPT P43490 1/20 0.35

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
SCHEMBL9687454 0.92 MEN1 (0.39) PDE2AKMT2AMEN1ALDH1A1
SCHEMBL9687392 0.88 CYP1A2 (0.46) TSHRSMN1; SMN2KMT2ALMNAMEN1
SCHEMBL9687941 0.83 EZH2 (0.40) SMN1; SMN2KMT2AMEN1
SCHEMBL9164713 0.83 MMP13 (0.48) SMN1; SMN2LMNAALDH1A1
SCHEMBL9688033 0.80 HTT (0.49) TSHRPKMSMN1; SMN2KMT2ALMNA
SCHEMBL9687409 0.78 LMNA (0.43) TSHRKMT2ALMNAMEN1
SCHEMBL9160957 0.78 SMN1; SMN2 (0.33) TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL9687391 0.77 HPGD (0.39) TSHRPKMSMN1; SMN2KMT2AMEN1
SCHEMBL9686935 0.76 CNR1 (0.47) ALDH1A1
SCHEMBL9688037 0.75 TSHR (0.49) TSHRMAPK10SMN1; SMN2KMT2ALMNA

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