SCHEMBL28629672

SCHEMBL28629672

CC(c1ccc([N+](=O)[O-])cc1)c1ncn(-c2ccc(OC(F)(F)F)cc2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.39
PSD A5PKW4 1/20 0.38
PGR P06401 1/20 0.38
TLR2 O60603 1/20 0.38
TLR1 Q15399 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
PDE2A O00408 2/20 0.37
MAPT P10636 3/20 0.36
NPBWR1 P48145 1/20 0.36
MCHR1 Q99705 1/20 0.36
KCNH2 Q12809 2/20 0.35
RXRA P19793 3/20 0.35
GRIN1 Q05586 3/20 0.35
GRIN2B Q13224 3/20 0.35
GAA P10253 1/20 0.35
TP53 P04637 1/20 0.34

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
SCHEMBL1259291 0.80 PGR (0.44) HTTPSDPGRTLR2TLR1
SCHEMBL3757135 0.77 HTT (0.51) HTTALDH1A1MEN1KMT2ANPC1
SCHEMBL18581123 0.76 MEN1 (0.43) HTTPGRTLR2TLR1ALDH1A1
SCHEMBL18579333 0.76 PTGS2 (0.43) HTTPSDPGRTLR2TLR1
SCHEMBL18579331 0.76 PTGS2 (0.43) HTTPSDPGRTLR2TLR1
SCHEMBL18579338 0.76 KCNH2 (0.40) HTTPSDPGRALDH1A1KMT2A
SCHEMBL18581057 0.76 TRPV1 (0.42) HTTALDH1A1MEN1KMT2ANPC1
SCHEMBL18580989 0.74 SMN1; SMN2 (0.41) HTTPSDPGRTLR2TLR1
SCHEMBL18579379 0.74 PGR (0.38) HTTPSDPGRTLR2TLR1
SCHEMBL18618047 0.74 PGR (0.38) HTTPSDPGRTLR2TLR1

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
CN-108025189-B Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 美国陶氏益农公司 2021-07-02 CN disclosed