SCHEMBL17514486

SCHEMBL17514486

[CH2]Cc1c(F)cc(OCC=C)cc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAOB P27338 1/20 0.36
CA12 O43570 5/20 0.36
CA1 P00915 5/20 0.36
CA9 Q16790 5/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
ADRA2A P08913 3/20 0.36
ADRA2B P18089 3/20 0.36
ADRA2C P18825 3/20 0.36
HTR2C P28335 3/20 0.36
HTR2B P41595 3/20 0.36
ADRB2 P07550 2/20 0.36
HTR1A P08908 2/20 0.36
CHRM5 P08912 2/20 0.36
DRD2 P14416 2/20 0.36

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
SCHEMBL21736817 0.83 MAOB (0.39) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL4677175 0.83 MEN1 (0.39) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL21728091 0.80 TAAR1 (0.41) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL4733374 0.80 MEN1 (0.39) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL17514886 0.79 KAT6A (0.38) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL15985642 0.78 MAOB (0.40) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL17514649 0.77 KAT6A (0.40) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL4681126 0.76 HTR2C (0.36) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL3818350 0.76 MAPT (0.47) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL27957723 0.76 MAPT (0.50) MEN1LMNAMAPTKMT2ASMN1; 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