SCHEMBL30698221

SCHEMBL30698221

[2H]C([2H])([2H])n1nnnc1C(=NO)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.38
ALDH1A1 P00352 3/20 0.38
GFER P55789 2/20 0.38
MAPT P10636 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
HTT P42858 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HSP90AA1 P07900 1/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPK14 Q16539 1/20 0.35
NPSR1 Q6W5P4 2/20 0.33
POLB P06746 2/20 0.33
HIF1A Q16665 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
XBP1 P17861 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL968342 0.89 HPGD (0.41) HPGDALDH1A1GFERMAPTL3MBTL1
SCHEMBL3328603 0.89 HPGD (0.41) HPGDALDH1A1GFERMAPTL3MBTL1
SCHEMBL968344 0.89 HPGD (0.41) HPGDALDH1A1GFERMAPTL3MBTL1
SCHEMBL22163777 0.77 ALDH1A1 (0.42) HPGDALDH1A1GFERMAPTHTT
SCHEMBL27281050 0.76 HPGD (0.38) HPGDALDH1A1GFERMAPTL3MBTL1
SCHEMBL16093550 0.76 HTT (0.41) HPGDALDH1A1MAPTL3MBTL1HTT
SCHEMBL4683762 0.76 ALDH1A1 (0.38) HPGDALDH1A1GFERMAPTHTT
SCHEMBL4684160 0.75 ALDH1A1 (0.39) HPGDALDH1A1MAPTL3MBTL1HTT
SCHEMBL4680198 0.74 LMNA (0.40) HPGDALDH1A1MAPTHTTKDM4E
SCHEMBL4684225 0.74 ALDH1A1 (0.40) ALDH1A1GFERRAB9ANPSR1POLB

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-2023247977-A9 DEUTERATED PICARBUTRAZOX DERIVATIVES AND THEIR USES REDAG CROP PROTECTION LTD (GB) 2024-03-07 WO disclosed
WO-2023247977-A1 DEUTERATED PICARUTRAZOX DERIVATIVES AND THEIR USES REDAG CROP PROTECTION LTD (GB) 2023-12-28 WO disclosed