SCHEMBL28524848

SCHEMBL28524848

Cc1nnc(S)n1N=Cc1ccccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
APOBEC3G Q9HC16 3/20 0.53
ALDH1A1 P00352 8/20 0.50
L3MBTL1 Q9Y468 6/20 0.50
HPGD P15428 4/20 0.50
MAPT P10636 9/20 0.48
KDM4E B2RXH2 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 2/20 0.47
RAB9A P51151 4/20 0.46
MAPK1 P28482 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
GAA P10253 2/20 0.46
MEN1 O00255 2/20 0.46
NPC1 O15118 2/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
CA12 O43570 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
SCHEMBL28534889 0.80 NPC1 (0.52) KMT2AAPOBEC3GALDH1A1L3MBTL1KDM4E
SCHEMBL28521757 0.79 MEN1 (0.50) KMT2AAPOBEC3GALDH1A1L3MBTL1HPGD
SCHEMBL28528748 0.78 ALDH1A1 (0.83) KMT2AAPOBEC3GALDH1A1L3MBTL1HPGD
SCHEMBL28520498 0.77 NPC1 (0.52) KMT2AAPOBEC3GALDH1A1L3MBTL1KDM4E
SCHEMBL28527048 0.77 KMT2A (0.47) KMT2AALDH1A1L3MBTL1HPGDMAPT
SCHEMBL28524214 0.76 ALDH1A1 (0.59) KMT2AAPOBEC3GALDH1A1L3MBTL1HPGD
SCHEMBL28517834 0.75 HSD17B10 (0.63) KMT2AALDH1A1L3MBTL1HPGDMAPT
SCHEMBL13856625 0.72 MAPT (0.67) KMT2AAPOBEC3GALDH1A1L3MBTL1HPGD
SCHEMBL4291683 0.70 MEN1 (0.50) KMT2AALDH1A1HPGDMAPTKDM4E
SCHEMBL9388114 0.69 CA12 (0.60) KMT2AALDH1A1L3MBTL1MAPTKDM4E

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
CN-108358896-B Compound for preparing medicine for preventing and treating crop pathogenic bacteria and preparation method 贵州大学 2021-01-08 CN disclosed