SCHEMBL27723769

SCHEMBL27723769

COC(=O)c1cc2nc(C(=O)F)ccc2c(O)c1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
COMT P21964 1/20 0.36
ALDH1A1 P00352 3/20 0.36
NQO2 P16083 1/20 0.35
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
CTSB P07858 1/20 0.34
KDM4E B2RXH2 2/20 0.34
LCK P06239 2/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 2/20 0.33
S100A4 P26447 2/20 0.33
MAPT P10636 1/20 0.32
F2 P00734 1/20 0.32
PLAU P00749 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
SCHEMBL27723778 0.88 ALDH1A1 (0.36) ALDH1A1NQO2KDM4EABCG2SMN1; SMN2
SCHEMBL535887 0.84 TUBB4A (0.40) COMTALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL27799958 0.79 ALDH1A1 (0.36) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL27723773 0.77 SIRT6 (0.41) ALDH1A1KDM4EABCG2SMN1; SMN2GAA
SCHEMBL3633692 0.77 KDM4E (0.36) COMTALDH1A1KDM4ELCKSMN1; SMN2
SCHEMBL27723771 0.75 ALDH1A1 (0.38) ALDH1A1KDM4ESMN1; SMN2MAPTMEN1
SCHEMBL535545 0.72 TUBB4A (0.40) ALDH1A1KDM4ESMN1; SMN2MAPTMEN1
SCHEMBL2938117 0.71 TUBB4A (0.42) ALDH1A1KDM4ESMN1; SMN2MAPTKMT2A
SCHEMBL27723811 0.71 KDM4E (0.46) ALDH1A1KDM4ELCKGAAMAPT
SCHEMBL27778825 0.70 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2GAAMAPTMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101273029-B Bicyclic bisamide derivatives and their use as pesticides SYNGENTA PARTICIPATIONS AG (CH) 2013-03-27 CN disclosed
CN-101273029-A Bicyclic bisamide derivatives and their use as pesticides SYNGENTA PARTICIPATIONS AG (CH) 2008-09-24 CN disclosed