SCHEMBL17514726

SCHEMBL17514726

C=CCOc1cc(F)c(-c2ccc[c]c2F)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KAT6A Q92794 5/20 0.33
MAOB P27338 1/20 0.33
PTPRC P08575 1/20 0.32
ADRA2A P08913 2/20 0.31
ADRA2B P18089 2/20 0.31
ADRA2C P18825 2/20 0.31
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA9 Q16790 2/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
ADRB2 P07550 1/20 0.31
HTR1A P08908 1/20 0.31
CHRM5 P08912 1/20 0.31
DRD2 P14416 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
SCHEMBL17514510 0.86 MAOB (0.34) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL17514590 0.84 MAPT (0.35) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL17514824 0.84 MAOB (0.37) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL17514898 0.82 KAT6A (0.36) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL17514530 0.81 HTR2C (0.34) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL17514544 0.80 MAOB (0.34) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL17514662 0.79 MEN1 (0.38) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL17514847 0.79 KAT6A (0.34) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL17514832 0.78 KAT6A (0.32) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL17514523 0.77 HTR2C (0.34) MEN1KMT2ALMNAMAPTSMN1; SMN2

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