SCHEMBL5137943

SCHEMBL5137943

Clc1c[c]c(Br)cc1-c1cccc(I)c1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.32
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 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
SCHEMBL5085427 0.85 METAP2 (0.34) METAP2CHRNB4CHRNA3
SCHEMBL4608811 0.83 METAP2 (0.33) METAP2CHRNB4CHRNA3
SCHEMBL5137942 0.75 METAP2 (0.33) METAP2CHRNB4CHRNA3
SCHEMBL4624808 0.75
SCHEMBL30834750 0.75 SMN1; SMN2 (0.37) METAP2CHRNB4CHRNA3
SCHEMBL456858 0.73 METAP2 (0.35) METAP2CHRNB4CHRNA3
SCHEMBL4608809 0.71 METAP2 (0.34) METAP2CHRNB4CHRNA3
SCHEMBL5085424 0.71 METAP2 (0.34) METAP2CHRNB4CHRNA3
SCHEMBL27925958 0.70 CYP2A6 (0.58) METAP2CHRNB4CHRNA3
SCHEMBL8307608 0.68 CNR2 (0.40) METAP2CHRNB4CHRNA3

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