SCHEMBL13458474

SCHEMBL13458474

CC1CCC(c2ccncc2[N+](=O)[O-])=CC1N=[N+]=[N-]

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
HTT P42858 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
SCHEMBL14213008 0.87 MEN1 (0.36) MEN1KMT2AALDH1A1HTT
SCHEMBL14213014 0.83 MEN1 (0.32) MEN1KMT2A
SCHEMBL13455534 0.83 MEN1 (0.32) MEN1KMT2A
SCHEMBL14213009 0.81 MEN1 (0.31) MEN1KMT2A
SCHEMBL16015507 0.81 MEN1 (0.31) MEN1KMT2A
SCHEMBL15338277 0.81 MEN1 (0.31) MEN1KMT2A
SCHEMBL13458326 0.79 MEN1 (0.40) MEN1KMT2AALDH1A1GAAHTT
SCHEMBL13458184 0.76 MEN1 (0.33) MEN1KMT2AALDH1A1GAAHTT
SCHEMBL15604496 0.76 MEN1 (0.33) MEN1KMT2AALDH1A1GAAHTT
SCHEMBL15838346 0.72 MEN1 (0.33) MEN1KMT2AALDH1A1

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
WO-2010026124-A1 PICOLINAMIDE DERIVATIVES AS KINASE INHIBITORS NOVARTIS AG (CH) 2010-03-11 WO disclosed