SCHEMBL23486113

SCHEMBL23486113

CC(C)(C)OC(=O)CC[n+]1ccc(-c2nc3ncncc3s2)cc1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.35
PAX8 Q06710 1/20 0.34
STING1 Q86WV6 1/20 0.32
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 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
Bromide SCHEMBL23458489 0.99 DYRK1A (0.34) DYRK1APAX8STING1
SCHEMBL23486249 0.83 KDM4E (0.34) KDM4EALDH1A1
SCHEMBL23458575 0.82
Hydrochloric Acid SCHEMBL23458577 0.82 KDM4E (0.33) KDM4EALDH1A1
SCHEMBL23196664 0.73 STING1 (0.34) DYRK1APAX8STING1
Bromide SCHEMBL23163320 0.72 STING1 (0.33) DYRK1APAX8STING1
SCHEMBL23486158 0.72 RAB9A (0.38) DYRK1AKDM4EALDH1A1
Bromide SCHEMBL23458436 0.71 RAB9A (0.38) DYRK1AKDM4EALDH1A1
SCHEMBL23175795 0.69 EGLN2 (0.39) KDM4EALDH1A1
SCHEMBL23458477 0.67 KDM4E (0.49) KDM4EALDH1A1

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