SCHEMBL17870

SCHEMBL17870

N#Cc1nccc(C(F)(F)C(F)(F)F)n1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.41
KMO O15229 1/20 0.38
CTSS P25774 5/20 0.36
IRAK4 Q9NWZ3 1/20 0.35
SYK P43405 2/20 0.33

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
SCHEMBL17792 0.85 IRAK4 (0.44) CTSKKMOCTSSIRAK4SYK
SCHEMBL22763360 0.77 CTSK (0.43) CTSKKMOCTSSIRAK4SYK
SCHEMBL2014949 0.71 GABRA1 (0.38)
SCHEMBL8751966 0.71 TRPV4 (0.33)
SCHEMBL28173201 0.71 SORT1 (0.36)
SCHEMBL3938053 0.70
SCHEMBL18372640 0.69 CTSK (0.41) CTSKKMOCTSS
SCHEMBL30587556 0.69 CTSK (0.41) CTSKKMOCTSS
SCHEMBL2238411 0.67 KMO (0.44) CTSKKMOCTSS
SCHEMBL18709 0.67 CTSK (0.41) CTSKKMOCTSSIRAK4

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-2012025460-A1 OXADIAZOLINONE DERIVATIVES AND USE THEREOF IN PEST CONTROL BAYER CROPSCIENCE AG (DE) 2012-03-01 WO disclosed