SCHEMBL2879160

SCHEMBL2879160

CSC(Oc1ccc2ncc(Br)cc2c1)C(=O)NC(C)(C)C.CSC(Oc1ccc2ncc(C#C[Si](C)(C)C)cc2c1)C(=O)NC(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.32
EGLN1 Q9GZT9 1/20 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
SCN9A Q15858 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
SCHEMBL633957 0.95 HPGDS (0.35) HPGDSEGLN1ALDH1A1F2GLA
SCHEMBL633389 0.89 HPGDS (0.38) HPGDSALDH1A1F2GLAHPGD
SCHEMBL3729043 0.86 HPGDS (0.35) HPGDSEGLN1ALDH1A1F2GLA
SCHEMBL3804337 0.86 RAB9A (0.34) EGLN1ALDH1A1F2GLAHPGD
SCHEMBL3734746 0.85 HPGDS (0.36) HPGDSEGLN1ALDH1A1F2GLA
SCHEMBL3732931 0.84 ALDH1A1 (0.33) HPGDSALDH1A1F2GLAHPGD
SCHEMBL3728846 0.84 EGLN1 (0.38) HPGDSEGLN1ALDH1A1F2GLA
SCHEMBL3742636 0.83 TNIK (0.43) HPGDSEGLN1ALDH1A1F2GLA
SCHEMBL13040773 0.83 TNIK (0.31) EGLN1ALDH1A1F2GLAHPGD
SCHEMBL3740789 0.83 MET (0.32) HPGDSEGLN1ALDH1A1F2GLA

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-2231614-A2 QUINOLINE DERIVATIVES AND THEIR USE AS FUNGICIDES Syngenta Participations AG (CH) 2010-09-29 EP disclosed
WO-2009087098-A2 QUINOLINE DERIVATIVES AND THEIR USE AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-07-16 WO disclosed