SCHEMBL17514686

SCHEMBL17514686

C=CCOc1cc(F)c(-c2c(F)c[c]cc2Cl)c(F)c1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.34
HTR2B P41595 2/20 0.34
HPGD P15428 2/20 0.32
MAOB P27338 1/20 0.31
PPOX P50336 1/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL17514485 0.91 MAOB (0.34) HTR2CHTR2BMAOBMEN1LMNA
SCHEMBL17514833 0.80 MEN1 (0.33) HTR2CHTR2BHPGDMAOBMEN1
SCHEMBL17514649 0.76 KAT6A (0.40) HTR2CHTR2BMAOBMEN1LMNA
SCHEMBL17514787 0.75 MAOB (0.34) HTR2CHTR2BHPGDMAOBMEN1
SCHEMBL17514523 0.75 HTR2C (0.34) HTR2CHTR2BHPGDMAOBMEN1
SCHEMBL17514519 0.75 HTR2C (0.33) HTR2CHTR2BMAOBPPOXMEN1
SCHEMBL17514684 0.75 HTR2C (0.33) HTR2CHTR2BMAOB
SCHEMBL17514552 0.75 HTR2C (0.33) HTR2CHTR2BMAOBPPOXMEN1
SCHEMBL17514900 0.74 MEN1 (0.35) MAOBMEN1LMNAMAPTKMT2A
SCHEMBL17514501 0.74 MAOB (0.34) HTR2CHTR2BHPGDMAOBPPOX

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