SCHEMBL3640889

SCHEMBL3640889

C#Cc1cnc2ccc(OC(SC)C(=O)NC(C#C)(C=NOC)CI)cc2c1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MET P08581 2/20 0.31
ALDH1A1 P00352 1/20 0.31
F2 P00734 1/20 0.31
GLA P06280 1/20 0.31
HPGD P15428 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
SCHEMBL533635 0.88 ALDH1A1 (0.32) METALDH1A1F2GLAHPGD
SCHEMBL533634 0.88 ALDH1A1 (0.32) METALDH1A1F2GLAHPGD
SCHEMBL534532 0.88 MET (0.33) METALDH1A1F2GLAHPGD
SCHEMBL534531 0.88 MET (0.33) METALDH1A1F2GLAHPGD
SCHEMBL534574 0.85 MET (0.31) METALDH1A1F2GLAHPGD
SCHEMBL534575 0.85 MET (0.31) METALDH1A1F2GLAHPGD
SCHEMBL534768 0.85 ALDH1A1 (0.31) ALDH1A1F2GLAHPGD
SCHEMBL534767 0.85 ALDH1A1 (0.31) ALDH1A1F2GLAHPGD
SCHEMBL534754 0.84 MET (0.32) METALDH1A1F2GLAHPGD
SCHEMBL534755 0.84 MET (0.32) METALDH1A1F2GLAHPGD

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-2185518-A2 SATURATED AND INSATURATED BI- OR TRICYCLIC ARYLOXYACETAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES Syngenta Participations AG (CH) 2010-05-19 EP disclosed
WO-2009030467-A2 SATURATED AND INSATURATED BI- OR TRICYCLIC ARYLOXYACETAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES SYNGENTA PARTICIPATIONS AG, (CH) 2009-03-12 WO disclosed