SCHEMBL17514898

SCHEMBL17514898

C=CCOc1cc(F)c(-c2[c]cccc2F)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 5/20 0.36
MAOB P27338 2/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
CA12 O43570 5/20 0.32
CA1 P00915 5/20 0.32
CA9 Q16790 5/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
FGFR1 P11362 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30

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
SCHEMBL17514832 0.88 KAT6A (0.32) KAT6AMAOBMAPTMEN1LMNA
SCHEMBL17514458 0.83 HTR2C (0.35) KAT6AMAOBMAPTMEN1LMNA
SCHEMBL17514726 0.82 MEN1 (0.35) KAT6AMAOBMAPTMEN1LMNA
SCHEMBL17514510 0.80 MAOB (0.34) KAT6AMAOBMAPTMEN1LMNA
SCHEMBL17514957 0.80 HTR2C (0.34) KAT6AMAOBMAPTMEN1LMNA
SCHEMBL17514544 0.78 MAOB (0.34) KAT6AMAOBMAPTMEN1LMNA
SCHEMBL17514483 0.78 KAT6A (0.32) KAT6AMAOBMAPTMEN1LMNA
SCHEMBL17514824 0.78 MAOB (0.37) KAT6AMAOBMAPTMEN1LMNA
SCHEMBL17514466 0.77 MAOB (0.33) KAT6AMAOBMAPTMEN1LMNA
SCHEMBL17514480 0.76 MAOB (0.35) KAT6AMAOBMAPTMEN1LMNA

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
WO-2016026830-A1 NOVEL FUNGICIDAL PYRAZOLE DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-02-25 WO disclosed