SCHEMBL17514832

SCHEMBL17514832

C=CCOc1cc(F)c(-c2[c]cccc2Cl)c(F)c1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 4/20 0.32
HTR2C P28335 4/20 0.32
HTR2B P41595 3/20 0.32
MAOB P27338 2/20 0.32
HPGD P15428 2/20 0.32
ATM Q13315 1/20 0.31
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
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
HTR2A P28223 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 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
SCHEMBL17514898 0.88 KAT6A (0.36) KAT6AMAOBMEN1LMNAMAPT
SCHEMBL17514957 0.84 HTR2C (0.34) KAT6AHTR2CHTR2BMAOBHPGD
SCHEMBL17514458 0.83 HTR2C (0.35) KAT6AHTR2CHTR2BMAOBHPGD
SCHEMBL17514510 0.82 MAOB (0.34) KAT6AMAOBHPGDATMMEN1
SCHEMBL17514550 0.80 HTR2C (0.33) KAT6AHTR2CHTR2BMAOBHPGD
SCHEMBL17514684 0.80 HTR2C (0.33) KAT6AHTR2CHTR2BMAOB
SCHEMBL17514726 0.78 MEN1 (0.35) KAT6AHTR2CHTR2BMAOBMEN1
SCHEMBL17514787 0.77 MAOB (0.34) KAT6AHTR2CHTR2BMAOBHPGD
SCHEMBL17514523 0.77 HTR2C (0.34) KAT6AHTR2CHTR2BMAOBHPGD
SCHEMBL17514480 0.76 MAOB (0.35) KAT6AHTR2CHTR2BMAOBHPGD

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