SCHEMBL4733374

SCHEMBL4733374

[CH2]c1c(F)cc(OCC=C)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAOB P27338 1/20 0.38
CA12 O43570 5/20 0.38
CA1 P00915 5/20 0.38
CA9 Q16790 5/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
ADRA2A P08913 3/20 0.38
ADRA2B P18089 3/20 0.38
ADRA2C P18825 3/20 0.38
HTR2C P28335 3/20 0.37
HTR2B P41595 3/20 0.37
ADRB2 P07550 2/20 0.37
HTR1A P08908 2/20 0.37
CHRM5 P08912 2/20 0.37
DRD2 P14416 2/20 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
SCHEMBL4738930 0.87 HTR2C (0.38) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL15985642 0.82 MAOB (0.40) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL17514649 0.80 KAT6A (0.40) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL17514486 0.80 MEN1 (0.37) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL3818350 0.79 MAPT (0.47) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL27957723 0.79 MAPT (0.50) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL21736817 0.79 MAOB (0.39) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL21718878 0.79 MAOB (0.39) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL4677175 0.79 MEN1 (0.39) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL7489140 0.78 KAT6A (0.43) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1343775-B1 PIPERAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-06-04 EP claimed
WO-2016026830-A1 NOVEL FUNGICIDAL PYRAZOLE DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-02-25 WO disclosed