SCHEMBL29607

SCHEMBL29607

N=C(N)c1nccc(C(F)(F)F)n1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.38
LOXL2 Q9Y4K0 2/20 0.37
SYK P43405 7/20 0.36
TAS2R14 Q9NYV8 1/20 0.36
NOS3 P29474 1/20 0.36
NOS2 P35228 1/20 0.36
LOX P28300 1/20 0.36
KMO O15229 2/20 0.36
P2RX7 Q99572 1/20 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
SCHEMBL13837225 0.81 SYK (0.45) ADRB1LOXL2SYKTAS2R14KMO
SCHEMBL17610 0.79 HDAC4 (0.38) ADRB1SYKTAS2R14KMO
SCHEMBL17608 0.79 ADRB1 (0.36) ADRB1LOXL2SYKTAS2R14LOX
SCHEMBL17609 0.79 ADRB1 (0.36) ADRB1LOXL2SYKTAS2R14LOX
SCHEMBL19455822 0.76 ADRB1 (0.35) ADRB1LOXL2SYKTAS2R14KMO
SCHEMBL1578122 0.76 KMO (0.54) SYKTAS2R14KMO
SCHEMBL10310327 0.75 TAS2R14 (0.47) SYKTAS2R14
SCHEMBL3714661 0.74 SYK (0.45) ADRB1SYKTAS2R14KMOP2RX7
SCHEMBL31537115 0.74 TAS2R14 (0.42) ADRB1SYKTAS2R14KMOP2RX7
SCHEMBL7611721 0.74 P2RX7 (0.55) LOXL2SYKTAS2R14P2RX7

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