SCHEMBL5085694

SCHEMBL5085694

CCCc1c[c]c(Br)cc1-c1cccc(C(F)(F)C(F)(F)F)c1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 1/20 0.34
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33

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
SCHEMBL5138594 0.81 BRD4 (0.32) PTPN5
SCHEMBL5085691 0.78 PTPN5 (0.34) PTPN5CTSSCTSK
SCHEMBL5086481 0.73 ALDH1A1 (0.48)
SCHEMBL5138592 0.70 PTPN5 (0.34) PTPN5
SCHEMBL4431950 0.69 MEN1 (0.36)
SCHEMBL4624808 0.68
SCHEMBL4608305 0.66 RORC (0.34) PTPN5
SCHEMBL4608309 0.65 RORB (0.36) PTPN5
SCHEMBL4607151 0.65 PTPN5 (0.34) PTPN5
SCHEMBL4607153 0.65 RORC (0.33) PTPN5

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-2008091594-A2 FUNGICIDAL MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-31 WO disclosed