SCHEMBL9689043

SCHEMBL9689043

COc1c(C(=O)NCc2ccccc2F)[nH]c(=O)c(CC(C)C)[n+]1[O-]

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.39
SLC1A2 P43004 1/20 0.39
PDE10A Q9Y233 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
PKM P14618 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
LMNA P02545 2/20 0.37
NPC1 O15118 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL9687941 0.82 EZH2 (0.40) HPGDKMT2AMEN1ROCK2NPC1
SCHEMBL9688037 0.80 TSHR (0.49) KMT2AALDH1A1MAPTTSHRRAB9A
SCHEMBL9688033 0.79 HTT (0.49) HPGDKMT2AMEN1ALDH1A1TSHR
SCHEMBL9687391 0.78 HPGD (0.39) HPGDKMT2AMEN1ROCK2ROCK1
SCHEMBL9687454 0.78 MEN1 (0.39) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL9687392 0.77 CYP1A2 (0.46) HPGDKMT2AMEN1ALDH1A1MAPT
SCHEMBL9280239 0.74 RXFP1 (0.45) KMT2AMEN1ALDH1A1MAPTTSHR
SCHEMBL9687611 0.74 KMT2A (0.48) HPGDKMT2AMEN1ALDH1A1MAPT
SCHEMBL9278822 0.72 RAB9A (0.46) HPGDKMT2AMEN1ALDH1A1MAPT
SCHEMBL9687431 0.70 MAPT (0.38) KMT2AMEN1MAPTPKM

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