SCHEMBL1849598

SCHEMBL1849598

O=c1[nH]cc([N+](=O)[O-])cc1C(F)F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 2/20 0.56
ALDH1A1 P00352 1/20 0.56
KDM4E B2RXH2 2/20 0.40
GRIN2D O15399 4/20 0.36
GRIN3B O60391 4/20 0.36
GRIN1 Q05586 4/20 0.36
GRIN2A Q12879 4/20 0.36
GRIN2B Q13224 4/20 0.36
GRIN2C Q14957 4/20 0.36
GRIN3A Q8TCU5 4/20 0.36
GRIA1 P42261 2/20 0.36
GRIA2 P42262 2/20 0.36
GRIA3 P42263 2/20 0.36
GRIA4 P48058 2/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL25314147 0.86 GLA (0.53) GLAALDH1A1KDM4EGRIN2DGRIN3B
SCHEMBL17347284 0.82 GLA (0.56) GLAALDH1A1KDM4EGRIN2DGRIN3B
SCHEMBL28651135 0.76 ALDH1A1 (0.61) GLAALDH1A1KDM4EGRIN2DGRIN3B
SCHEMBL3293088 0.73 ALDH1A1 (0.63) GLAALDH1A1KDM4EGRIN2DGRIN3B
SCHEMBL2070952 0.72 ALDH1A1 (0.61) GLAALDH1A1KDM4EGRIN2DGRIN3B
SCHEMBL28282461 0.72 ALDH1A1 (1.00) GLAALDH1A1KDM4EGRIN2DGRIN3B
SCHEMBL10651010 0.72 ALDH1A1 (0.61) GLAALDH1A1KDM4EGRIN2DGRIN3B
SCHEMBL11645181 0.72 ALDH1A1 (0.61) GLAALDH1A1KDM4EGRIA1GRIA2
SCHEMBL909616 0.71 ALDH1A1 (0.56) GLAALDH1A1KDM4EGRIA1GRIA2
SCHEMBL9949061 0.69 ERCC1 (0.50) GLAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2324010-A1 INSECTICIDAL PHENYL- OR PYRIDYL-PIPERIDINE COMPOUNDS Syngenta Participations AG (CH) 2011-05-25 EP disclosed
WO-2010009968-A1 INSECTICIDAL PHENYL- OR PYRIDYL-PIPERIDINE COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2010-01-28 WO disclosed
WO-2009138219-A2 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2009-11-19 WO disclosed