SCHEMBL23486252

SCHEMBL23486252

O=C(Nc1cncnc1O)c1ccncc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
RAB9A P51151 3/20 0.50
KCNMA1 Q12791 1/20 0.50
KMT2A Q03164 2/20 0.48
HSD17B10 Q99714 2/20 0.48
TP53 P04637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
KDM4D Q6B0I6 1/20 0.48
KDM4C Q9H3R0 1/20 0.48
HTT P42858 1/20 0.47
KDM4E B2RXH2 4/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HDAC1 Q13547 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPK1 P28482 2/20 0.45
MPO P05164 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
ADORA3 P0DMS8 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
SCHEMBL23458490 0.83 KCNMA1 (0.52) GAARAB9AKCNMA1KMT2AHSD17B10
SCHEMBL1697594 0.77 KCNMA1 (0.54) GAARAB9AKCNMA1KMT2AHSD17B10
SCHEMBL30420965 0.74 L3MBTL1 (0.42) RAB9AKMT2AHSD17B10KDM4EL3MBTL1
SCHEMBL11568775 0.74 MALT1 (0.30)
SCHEMBL1026009 0.74 KDR (0.55) RAB9AKCNMA1KMT2AHTTKDM4E
SCHEMBL23458450 0.73 GSK3A (0.60) GAARAB9AKCNMA1KMT2AHSD17B10
SCHEMBL23463919 0.73 HDAC1 (0.56) GAARAB9AKCNMA1KMT2AHSD17B10
SCHEMBL11004599 0.73 NPC1 (0.50) GAARAB9AHSD17B10TP53HTT
SCHEMBL4152465 0.72 VNN1 (0.53) KMT2AL3MBTL1
SCHEMBL18086516 0.71 RAB9A (0.68) GAARAB9AKCNMA1KMT2AHSD17B10

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 2 patents. 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
WO-2021110890-A1 PYRIDINIUM DERIVATIVES AS HERBICIDES SYNGENTA CROP PROTECTION AG (CH) 2021-06-10 WO disclosed