SCHEMBL633068

SCHEMBL633068

C#Cc1cnc2ccc(OC(SC)C(=O)NC(C#N)C(C)O)cc2c1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 6/20 0.35
ALDH1A1 P00352 1/20 0.32
F2 P00734 1/20 0.32
GLA P06280 1/20 0.32
HPGD P15428 1/20 0.32
MET P08581 1/20 0.31
HPGDS O60760 2/20 0.31
ACACB O00763 1/20 0.30

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
SCHEMBL3735248 0.87 HPGDS (0.38) ALDH1A1F2GLAHPGDMET
SCHEMBL3730319 0.84 SCN9A (0.39) SCN9AALDH1A1F2GLAHPGD
SCHEMBL3726285 0.84 ALDH1A1 (0.35) SCN9AALDH1A1F2GLAHPGD
SCHEMBL3727023 0.83 ALDH1A1 (0.38) SCN9AALDH1A1F2GLAHPGD
SCHEMBL632771 0.82 HPGDS (0.36) SCN9AALDH1A1F2GLAHPGD
SCHEMBL3739359 0.81 ALDH1A1 (0.36) ALDH1A1F2GLAHPGDMET
SCHEMBL3730775 0.81 ALDH1A1 (0.33) SCN9AALDH1A1F2GLAHPGD
SCHEMBL534549 0.81 ALDH1A1 (0.40) ALDH1A1F2GLAHPGDMET
SCHEMBL17164661 0.81 ALDH1A1 (0.35) SCN9AALDH1A1F2GLAHPGD
SCHEMBL3809078 0.81 HPGDS (0.36) ALDH1A1F2GLAHPGDMET

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
EP-2231614-B1 Quinoline derivatives and their use as fungicides SYNGENTA PARTICIPATIONS AG (CH) 2012-02-22 EP disclosed