SCHEMBL8604204

SCHEMBL8604204

Cn1nc(-c2cc(F)c(C#N)cc2F)c(Br)c1S(C)(=O)=O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 6/20 0.33
PDE4A P27815 8/20 0.32
PDE4B Q07343 8/20 0.32
PDE4C Q08493 8/20 0.32
PDE4D Q08499 4/20 0.32
TRPV4 Q9HBA0 1/20 0.32
PGR P06401 1/20 0.31

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
SCHEMBL8441483 0.79 CYP11B1 (0.35) EGLN2PDE4APDE4BPDE4CPDE4D
SCHEMBL7746895 0.77 PTGS2 (0.39) PDE4BPDE4D
SCHEMBL8436898 0.76 EGLN2 (0.33) EGLN2PDE4APDE4BPDE4CPDE4D
SCHEMBL7506362 0.76 PTGS2 (0.30)
SCHEMBL7513789 0.75 PTGS2 (0.36) EGLN2
SCHEMBL7161842 0.75 EGLN2 (0.32) EGLN2TRPV4
SCHEMBL7741912 0.75 VCAM1 (0.34)
SCHEMBL7509183 0.72 VCAM1 (0.33)
SCHEMBL9530637 0.71 PGK1 (0.34)
SCHEMBL9696394 0.71 RORC (0.31)

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-0906285-A1 3-CYANOARYL PYRAZOLES AND USE THEREOF AS HERBICIDES BAYER AG (DE) 1999-04-07 EP disclosed
WO-1997046535-A1 3-CYANOARYL PYRAZOLES AND USE THEREOF AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-12-11 WO disclosed