SCHEMBL23486137

SCHEMBL23486137

CC(C)(C)OC(=O)C[n+]1ccc(-c2nc3cccnn3n2)cc1

nearest known ligand 0.33

Predicted protein targets (top 6)

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
PDE4A P27815 1/20 0.30
TSHR P16473 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
SCHEMBL23486139 0.83 KMT2A (0.34) KDM4EALDH1A1GAAMAPT
SCHEMBL23486159 0.83 KDM4E (0.33) KDM4EALDH1A1GAAMAPT
SCHEMBL23458586 0.77 BRD4 (0.36) KDM4EALDH1A1MAPT
Bromide SCHEMBL23458486 0.77 BRD4 (0.36) KDM4EALDH1A1
SCHEMBL23486135 0.75 NPC1 (0.35) KDM4EALDH1A1GAATSHR
SCHEMBL23143299 0.71 KDM4E (0.41) KDM4EALDH1A1GAAMAPTTSHR
Bromide SCHEMBL23143282 0.70 KDM4E (0.40) KDM4EALDH1A1GAAMAPT
SCHEMBL23458453 0.67 TSHR (0.46) KDM4EALDH1A1GAAMAPTTSHR
SCHEMBL23458462 0.65 HSD17B10 (0.50) KDM4EALDH1A1GAAMAPTTSHR
SCHEMBL23178634 0.65 PIK3CD (0.36) 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