SCHEMBL4439142

SCHEMBL4439142

COc1[c]cc(I)cc1-c1cc(Br)ccc1Br

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 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
SCHEMBL3669188 0.83 S100A4 (0.32) S100A4
SCHEMBL4429902 0.81
SCHEMBL4439373 0.76 AMY1A (0.33) S100A4
SCHEMBL4439144 0.73 PLK4 (0.31) S100A4
SCHEMBL8622856 0.70 ALOX5AP (0.31)
SCHEMBL3669190 0.68 S100A4 (0.32) S100A4
SCHEMBL28453298 0.67 S100A4 (0.57) S100A4
SCHEMBL9533544 0.67 TTR (0.33)
SCHEMBL4437892 0.67 L3MBTL1 (0.31)
SCHEMBL3663441 0.66 CYP1A1 (0.32)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121660-A2 FUNGICIDAL AMIDES E. I. Du Pont de Nemours and Company (US) 2009-11-25 EP disclosed
WO-2008091580-A2 FUNGICIDAL AMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-31 WO disclosed
EP-1948649-A2 FUNGICIDAL CARBOXAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-30 EP disclosed
WO-2007014290-A2 FUNGICIDAL CARBOXAMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-02-01 WO disclosed