SCHEMBL23486156

SCHEMBL23486156

COS(=O)(=O)OCC[n+]1ccc(-c2nc3ccccc3s2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.52
RAB9A P51151 6/20 0.52
NPC1 O15118 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
PKM P14618 2/20 0.52
TP53 P04637 1/20 0.50
APOBEC3A P31941 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
APP P05067 4/20 0.46
GAA P10253 3/20 0.46
MAPT P10636 3/20 0.46
KMT2A Q03164 3/20 0.46
NOD2 Q9HC29 2/20 0.46
GLA P06280 2/20 0.46
MEN1 O00255 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
PAX8 Q06710 1/20 0.46
TNF P01375 1/20 0.46
NOD1 Q9Y239 1/20 0.46
ALDH1A1 P00352 4/20 0.46

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
SCHEMBL23458484 0.93 KDM4E (0.50) KDM4ERAB9ANPC1SMN1; SMN2PKM
SCHEMBL23458485 0.86 KDM4E (0.48) KDM4ERAB9ANPC1SMN1; SMN2PKM
Bromide SCHEMBL29935725 0.83 KDM4E (0.56) KDM4ERAB9ANPC1SMN1; SMN2PKM
SCHEMBL29935675 0.80 KDM4E (0.52) KDM4ERAB9ANPC1SMN1; SMN2PKM
SCHEMBL23458502 0.77 KDM4E (0.51) KDM4ERAB9ANPC1SMN1; SMN2PKM
Bromide SCHEMBL29935440 0.74 RAB9A (0.55) KDM4ERAB9ANPC1SMN1; SMN2PKM
SCHEMBL23486258 0.73 KDM4E (0.52) KDM4ERAB9ANPC1SMN1; SMN2PKM
SCHEMBL4901005 0.73 TP53 (0.60) KDM4ERAB9ANPC1SMN1; SMN2PKM
SCHEMBL24566464 0.73 KDM4E (0.55) KDM4ERAB9ANPC1SMN1; SMN2PKM
SCHEMBL22335519 0.72 KDM4E (0.44) KDM4ERAB9ANPC1SMN1; SMN2PKM

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