SCHEMBL23486159

SCHEMBL23486159

CC(C)(C)OC(=O)C[n+]1ccc(-c2nc3nccnn3n2)cc1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.30
MAPT P10636 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
SCHEMBL23486137 0.83 KDM4E (0.33) KDM4EALDH1A1GAAMAPT
SCHEMBL23486135 0.82 NPC1 (0.35) KDM4EALDH1A1GAA
SCHEMBL23486265 0.77 KDM4E (0.32) KDM4E
SCHEMBL23458586 0.73 BRD4 (0.36) KDM4EALDH1A1MAPT
SCHEMBL23176096 0.72 ALDH1A1 (0.48) KDM4EALDH1A1GAAMAPT
Bromide SCHEMBL23458486 0.72 BRD4 (0.36) KDM4EALDH1A1
Bromide SCHEMBL23143456 0.72 ALDH1A1 (0.47) KDM4EALDH1A1GAAMAPT
SCHEMBL23178634 0.70 PIK3CD (0.36) KDM4EALDH1A1
SCHEMBL23143299 0.69 KDM4E (0.41) KDM4EALDH1A1GAAMAPT
Bromide SCHEMBL23143282 0.68 KDM4E (0.40) KDM4EALDH1A1GAAMAPT

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-2021110890-A1 PYRIDINIUM DERIVATIVES AS HERBICIDES SYNGENTA CROP PROTECTION AG (CH) 2021-06-10 WO disclosed