SCHEMBL23486265

SCHEMBL23486265

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

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
RECQL P46063 1/20 0.32
ADORA3 P0DMS8 4/20 0.32

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
SCHEMBL23486159 0.77 KDM4E (0.33) KDM4E
SCHEMBL23486250 0.75 RAB9A (0.40) KDM4ERECQLADORA3
SCHEMBL23197365 0.72 GRM5 (0.32) KDM4E
Hydrochloric Acid SCHEMBL8960715 0.71 FFAR1 (0.41) KDM4E
SCHEMBL23196665 0.69 USP2 (0.33)
Hydrochloric Acid SCHEMBL23458449 0.69 NAMPT (0.33)
SCHEMBL13974634 0.69 FFAR1 (0.42) KDM4E
SCHEMBL23143430 0.68 ALDH1A1 (0.49) KDM4ERECQL
SCHEMBL23486139 0.68 KMT2A (0.34) KDM4EADORA3
Bromide SCHEMBL23163326 0.68 USP2 (0.32)

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