SCHEMBL17514550

SCHEMBL17514550

C=CCOc1cc(F)c(-c2[c]c(F)ccc2Cl)c(F)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.33
HTR2B P41595 4/20 0.33
HTR2A P28223 4/20 0.33
MAOB P27338 2/20 0.32
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HPGD P15428 1/20 0.31
ADRA2A P08913 2/20 0.31
ADRA2B P18089 2/20 0.31
ADRA2C P18825 2/20 0.31
KAT6A Q92794 1/20 0.31
CA12 O43570 3/20 0.31
CA1 P00915 3/20 0.31
CA9 Q16790 3/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
GAA P10253 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
SCHEMBL17514894 0.81 MEN1 (0.37) HTR2CHTR2BMAOBMEN1LMNA
SCHEMBL17514832 0.80 KAT6A (0.32) HTR2CHTR2BHTR2AMAOBMEN1
SCHEMBL17514662 0.78 MEN1 (0.38) HTR2CHTR2BHTR2AMAOBMEN1
SCHEMBL17514957 0.77 HTR2C (0.34) HTR2CHTR2BHTR2AMAOBMEN1
SCHEMBL17514458 0.76 HTR2C (0.35) HTR2CHTR2BMAOBMEN1LMNA
SCHEMBL17514684 0.76 HTR2C (0.33) HTR2CHTR2BMAOBKAT6A
SCHEMBL17514501 0.74 MAOB (0.34) HTR2CHTR2BHTR2AMAOBMEN1
SCHEMBL17514762 0.74
SCHEMBL17514895 0.74 HTR2C (0.33) HTR2CHTR2BMAOBADRA2AADRA2B
SCHEMBL17514664 0.74 MAOB (0.36) HTR2CHTR2BHTR2AMAOBMEN1

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