SCHEMBL4437746

SCHEMBL4437746

Cc1[c]ccc(-c2cc(Br)ccc2Br)c1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 1/20 0.35
PTPRC P08575 1/20 0.32
HSP90AA1 P07900 1/20 0.31
TLR9 Q9NR96 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
SCHEMBL5199467 0.86 S100A4 (0.30) S100A4
SCHEMBL4433441 0.86 MAOB (0.31)
SCHEMBL4429899 0.86 AGPAT2 (0.33) S100A4
SCHEMBL4428497 0.83 HTT (0.35)
SCHEMBL4436861 0.80 NPC1 (0.42)
SCHEMBL4438085 0.79 NOTUM (0.33)
SCHEMBL27978146 0.76 HSP90AA1 (0.33) S100A4PTPRCHSP90AA1TLR9
SCHEMBL2752950 0.75 S100A4 (0.41) S100A4PTPRCHSP90AA1TLR9
SCHEMBL28867241 0.74 ALDH1A1 (0.43)
SCHEMBL207992 0.74

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