SCHEMBL28567235

SCHEMBL28567235

Nc1cc(C2CC(Cl)=NO2)nc(C(=O)O)c1Cl.[NaH]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.35
CYP3A4 P08684 1/20 0.32
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIK1 P39086 1/20 0.30
GRIA1 P42261 1/20 0.30
GRIA2 P42262 1/20 0.30
GRIA3 P42263 1/20 0.30
GRIA4 P48058 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIK2 Q13002 1/20 0.30
GRIK3 Q13003 1/20 0.30
GRIN2B Q13224 1/20 0.30

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
SCHEMBL20955347 0.99 LMNA (0.38) LMNAKDM4EALDH1A1TP53SMN1; SMN2
SCHEMBL28578629 0.97 LMNA (0.37) LMNAKDM4EALDH1A1TP53SMN1; SMN2
SCHEMBL20981867 0.87 TDP1 (0.35) TDP1CYP3A4
Lithium Ion SCHEMBL20955373 0.86 KDM4E (0.33) LMNAKDM4EALDH1A1TP53SMN1; SMN2
SCHEMBL20955405 0.86 KDM4E (0.33) LMNAKDM4EALDH1A1TP53SMN1; SMN2
SCHEMBL20955402 0.86 TDP1 (0.34) TDP1CYP3A4
SCHEMBL20955365 0.86 TDP1 (0.34) TDP1CYP3A4
SCHEMBL20955536 0.84 NQO2 (0.36) LMNAKDM4EALDH1A1TP53SMN1; SMN2
SCHEMBL20955534 0.83 TSHR (0.35) TDP1
SCHEMBL20955438 0.83 TDP1 (0.32) TDP1

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-109561682-B Pyridines comprising an isoxazoline ring and their use as herbicides 牧牛研究所株式会社 2021-05-11 CN claimed
CN-109561682-B Pyridines comprising an isoxazoline ring and their use as herbicides 牧牛研究所株式会社 2021-05-11 CN disclosed