SCHEMBL17514833

SCHEMBL17514833

C=CCOc1cc(F)c(-c2cc[c]cc2Cl)c(F)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTR2C P28335 4/20 0.32
HTR2B P41595 3/20 0.32
CA12 O43570 3/20 0.32
CA1 P00915 3/20 0.32
CA9 Q16790 3/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
MAOB P27338 1/20 0.32
KAT6A Q92794 2/20 0.31
HPGD P15428 1/20 0.30
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
HTR2A P28223 1/20 0.30
CA2 P00918 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
SCHEMBL17514900 0.88 MEN1 (0.35) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL17514589 0.80 MAOB (0.34) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL17514519 0.80 HTR2C (0.33) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL17514552 0.80 HTR2C (0.33) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL17514686 0.80 HTR2C (0.34) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL17514530 0.79 HTR2C (0.34) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL17514590 0.77 MAPT (0.35) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL17514510 0.76 MAOB (0.34) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL17514709 0.76 MEN1 (0.32) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL17514516 0.76 GAA (0.33) 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