SCHEMBL28614901

SCHEMBL28614901

NC(=O)Oc1ccc(/C=C/c2ncn(-c3ccc(OC(F)(F)F)cc3)n2)cc1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 2/20 0.35
CA2 P00918 3/20 0.34
CA9 Q16790 3/20 0.34
CA5A P35218 1/20 0.34
PTGS2 P35354 2/20 0.34
CYP19A1 P11511 1/20 0.34
MAPT P10636 4/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
PPARG P37231 1/20 0.33
PSD A5PKW4 1/20 0.33
TLR2 O60603 1/20 0.33
TLR1 Q15399 1/20 0.33
APP P05067 1/20 0.33
PGR P06401 1/20 0.33
PTPN11 Q06124 1/20 0.32
SCN4A P35499 1/20 0.32
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
BCHE P06276 1/20 0.32

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
SCHEMBL18579331 0.83 PTGS2 (0.43) PTGS2CYP19A1MAPTALDH1A1PSD
SCHEMBL18579333 0.83 PTGS2 (0.43) PTGS2CYP19A1MAPTALDH1A1PSD
SCHEMBL28615670 0.82 PPARD (0.36) MAPTPPARG
SCHEMBL28615666 0.82 PPARD (0.36) MAPTPPARG
SCHEMBL28629677 0.79 CYP2D6 (0.36) CA2CA9CA12CA1TP53
SCHEMBL28614902 0.78 MAPT (0.41) CA2CA9PTGS2MAPTALDH1A1
SCHEMBL18591561 0.78 MAPT (0.41) CA2CA9PTGS2MAPTALDH1A1
SCHEMBL18579351 0.78 PTGS2 (0.37) CA2CA9CA5APTGS2MAPT
SCHEMBL18579349 0.78 PTGS2 (0.37) CA2CA9CA5APTGS2MAPT
SCHEMBL28624282 0.75 HDAC1 (0.34) MCHR1

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