SCHEMBL23486269

SCHEMBL23486269

O=S(=O)([O-])CC[n+]1ccc(-c2nc3nccnc3s2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.37
NPC1 O15118 5/20 0.37
RAB9A P51151 4/20 0.37
ALDH1A1 P00352 4/20 0.37
GLA P06280 3/20 0.37
RUNX1 Q01196 2/20 0.37
CBFB Q13951 2/20 0.37
GAA P10253 2/20 0.37
PABPC1 P11940 1/20 0.33
EIF4H Q15056 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
MAPT P10636 2/20 0.32
HPGD P15428 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
HTT P42858 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
TSHR P16473 1/20 0.31
CASP7 P55210 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL30083946 0.78 PABPC1 (0.48) KDM4ENPC1RAB9AALDH1A1GLA
SCHEMBL23486136 0.77 PTGDR2 (0.34) KDM4ENPC1RAB9AALDH1A1GLA
SCHEMBL23458502 0.74 KDM4E (0.51) KDM4ENPC1RAB9AALDH1A1GLA
SCHEMBL23143297 0.74 PIK3CD (0.36) KDM4EPABPC1EIF4HCTDSP1
SCHEMBL22322466 0.72 PABPC1 (0.35) KDM4EPABPC1EIF4HCTDSP1
SCHEMBL23164037 0.72 CA12 (0.33) PABPC1EIF4HCTDSP1
SCHEMBL23458463 0.70 PIK3CD (0.50) KDM4ENPC1RAB9AALDH1A1MAPT
SCHEMBL24796218 0.70 ADORA3 (0.47) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL22335466 0.68 TRPA1 (0.35) KDM4EALDH1A1PABPC1EIF4HCTDSP1
SCHEMBL23197310 0.66 HAVCR2 (0.51) KDM4EALDH1A1HPGDHTTHSD17B10

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