SCHEMBL10071687

SCHEMBL10071687

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.33
ABL1 P00519 2/20 0.32
ALDH1A1 P00352 2/20 0.32
F2 P00734 1/20 0.32
GLA P06280 1/20 0.32
HPGD P15428 1/20 0.32
PARP1 P09874 1/20 0.31
MET P08581 4/20 0.31
KDR P35968 3/20 0.30
AURKA O14965 1/20 0.30
LCK P06239 1/20 0.30
FYN P06241 1/20 0.30
YES1 P07947 1/20 0.30
FGFR2 P21802 1/20 0.30
EPHA2 P29317 1/20 0.30
LTK P29376 1/20 0.30
AXL P30530 1/20 0.30
FLT3 P36888 1/20 0.30
MST1R Q04912 1/20 0.30
PTK6 Q13882 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
SCHEMBL13785392 0.91 SCN9A (0.33) SCN9AABL1ALDH1A1F2GLA
SCHEMBL3730552 0.91 SCN9A (0.39) SCN9AABL1ALDH1A1F2GLA
SCHEMBL155250 0.89 SCN9A (0.33) SCN9AABL1ALDH1A1F2GLA
SCHEMBL632771 0.88 HPGDS (0.36) SCN9AALDH1A1F2GLAHPGD
SCHEMBL13785404 0.88 PARP1 (0.34) SCN9AABL1ALDH1A1F2GLA
SCHEMBL2865535 0.88 ALDH1A1 (0.35) SCN9AALDH1A1F2GLAHPGD
SCHEMBL13785391 0.87 MET (0.32) SCN9AALDH1A1F2GLAHPGD
SCHEMBL633067 0.87 SCN9A (0.35) SCN9AALDH1A1F2GLAHPGD
SCHEMBL13077475 0.87 SCD (0.30)
SCHEMBL3727686 0.87 RAB9A (0.35) SCN9AALDH1A1F2GLAHPGD

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-B1 Quinoline derivatives and their use as fungicides SYNGENTA PARTICIPATIONS AG (CH) 2012-02-22 EP disclosed
WO-2009087098-A2 QUINOLINE DERIVATIVES AND THEIR USE AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-07-16 WO disclosed