SCHEMBL18469

SCHEMBL18469

N#Cc1nccc(Oc2ccccc2C(F)(F)F)n1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.42
CTSK P43235 3/20 0.42
SLC22A12 Q96S37 1/20 0.38
P2RY1 P47900 1/20 0.38
HTR1A P08908 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
AR P10275 5/20 0.36
MRGPRX1 Q96LB2 1/20 0.36
ALOX5AP P20292 2/20 0.35
FEN1 P39748 2/20 0.35

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
SCHEMBL5622413 0.77 KMO (0.42) CTSSCTSKALOX5APFEN1
SCHEMBL3721302 0.75 AR (0.44) CTSKSLC22A12HTR1ASLC6A2SLC6A4
SCHEMBL17908 0.74 LMNA (0.42) CTSSCTSKALOX5APFEN1
SCHEMBL18709 0.73 CTSK (0.41) CTSSCTSKALOX5APFEN1
SCHEMBL8720576 0.73 MAPT (0.48) CTSSP2RY1
SCHEMBL468007 0.73 P2RY1 (0.42) P2RY1HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL18333 0.72 CTSK (0.56) CTSSCTSKAR
SCHEMBL19994256 0.72 KDM4E (0.51) P2RY1HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL1933633 0.72 AR (0.50) SLC22A12ARALOX5APFEN1
SCHEMBL14831023 0.72 SMN1; SMN2 (0.46) ALOX5APFEN1

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