SCHEMBL8553353

SCHEMBL8553353

COC(=O)CCOc1cc(-c2ncc(C(F)(F)F)n(C)c2=O)c(Cl)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
LMNA P02545 2/20 0.37
HSP90AA1 P07900 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSP90AB1 P08238 6/20 0.34
ALDH1A1 P00352 3/20 0.33
HPGD P15428 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KAT2B Q92831 1/20 0.32
KDM4E B2RXH2 2/20 0.32
POLB P06746 1/20 0.32
KMO O15229 1/20 0.32
MAPK1 P28482 1/20 0.31
HTR2A P28223 1/20 0.31

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
SCHEMBL8192289 0.83 HSP90AA1 (0.36) MAPTHSP90AA1CYP1A2CYP3A4CYP2C19
SCHEMBL8188528 0.82 LMNA (0.44) MAPTLMNAALDH1A1HPGDTDP1
SCHEMBL8191310 0.82 GAA (0.45) MAPTLMNAALDH1A1HPGDTDP1
SCHEMBL8189377 0.80 MAPK1 (0.36) MAPTLMNACYP2C19ALDH1A1HPGD
SCHEMBL8192987 0.80 PGK1 (0.36) LMNAHSP90AB1
SCHEMBL8187079 0.76 COMT (0.41) CYP1A2CYP2C19ALDH1A1
SCHEMBL8177599 0.76 PPOX (0.35) MAPTLMNACYP2C19ALDH1A1HPGD
SCHEMBL8186020 0.76 PPOX (0.39) MAPTLMNAALDH1A1HPGDTDP1
SCHEMBL8189374 0.75 PPOX (0.46) MAPTLMNAALDH1A1HPGDTDP1
SCHEMBL8192247 0.75 PPOX (0.36) MAPTHSP90AA1CYP1A2ALDH1A1POLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0859765-A1 PYRAZIN-2-ONE DERIVATIVES, THEIR USE, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1998-08-26 EP disclosed
WO-1997011060-A1 PYRAZIN-2-ONE DERIVATIVES, THEIR USE, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-03-27 WO disclosed