SCHEMBL6689281

SCHEMBL6689281

Cc1cccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccccc2Cl)c1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 2/20 0.44
MAPK14 Q16539 3/20 0.43
RORC P51449 2/20 0.42
F10 P00742 6/20 0.42
RXRA P19793 3/20 0.42
NR1H2 P55055 3/20 0.42
NR1H3 Q13133 3/20 0.42
NPY5R Q15761 1/20 0.42
F9 P00740 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
F2 P00734 1/20 0.41
KMT2A Q03164 1/20 0.40

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
SCHEMBL6783789 0.85 KLKB1 (0.48) KLKB1MAPK14F10RXRANR1H2
SCHEMBL6712376 0.82 MAPK14 (0.45) KLKB1MAPK14F10RXRANR1H2
SCHEMBL2259914 0.79 NPY5R (0.52) KLKB1F10RXRANR1H2NR1H3
SCHEMBL12361685 0.78 F10 (0.49) KLKB1F10F2
SCHEMBL2258704 0.78 NPY5R (0.54) KLKB1F10NPY5RMAPTSMN1; SMN2
SCHEMBL2260222 0.77 NPY5R (0.53) KLKB1F10NPY5RF2
SCHEMBL12361694 0.77 F10 (0.47) KLKB1MAPK14F10F2KMT2A
SCHEMBL2259628 0.77 KDR (0.54) KLKB1F10MAPTSMN1; SMN2KMT2A
SCHEMBL2257037 0.76 ALDH1A1 (0.46) KLKB1F10MAPTF2
SCHEMBL2257668 0.76 IGF1R (0.53) F10MAPTKMT2A

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
EP-1427705-A2 INSECTICIDAL DIAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2004-06-16 EP disclosed
WO-2003026415-A2 INSECTICIDAL DIAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2003-04-03 WO disclosed