SCHEMBL23458484

SCHEMBL23458484

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.50
PKM P14618 2/20 0.50
APOBEC3A P31941 1/20 0.50
APOBEC3G Q9HC16 1/20 0.50
TP53 P04637 1/20 0.48
RAB9A P51151 6/20 0.48
NPC1 O15118 5/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
APP P05067 4/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPT P10636 3/20 0.47
MMP9 P14780 2/20 0.47
MMP8 P22894 2/20 0.47
GLA P06280 2/20 0.47
GAA P10253 2/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 2/20 0.45
MMP2 P08253 1/20 0.45
MMP13 P45452 1/20 0.45
CCNE1 P24864 1/20 0.44

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
SCHEMBL23486156 0.93 KDM4E (0.52) KDM4EPKMAPOBEC3AAPOBEC3GTP53
SCHEMBL23458485 0.90 KDM4E (0.48) KDM4EPKMAPOBEC3AAPOBEC3GTP53
Bromide SCHEMBL29935725 0.82 KDM4E (0.56) KDM4EPKMAPOBEC3AAPOBEC3GRAB9A
SCHEMBL23458502 0.81 KDM4E (0.51) KDM4EPKMAPOBEC3AAPOBEC3GTP53
SCHEMBL29935675 0.79 KDM4E (0.52) KDM4EPKMAPOBEC3AAPOBEC3GRAB9A
Bromide SCHEMBL29935440 0.78 RAB9A (0.55) KDM4EPKMAPOBEC3AAPOBEC3GTP53
SCHEMBL23486258 0.76 KDM4E (0.52) KDM4EPKMAPOBEC3AAPOBEC3GRAB9A
SCHEMBL29935671 0.75 RAB9A (0.51) KDM4EPKMAPOBEC3AAPOBEC3GTP53
SCHEMBL24566464 0.74 KDM4E (0.55) KDM4EPKMAPOBEC3AAPOBEC3GTP53
SCHEMBL29935874 0.73 KDM4E (0.51) KDM4EPKMAPOBEC3AAPOBEC3GTP53

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