SCHEMBL28528748

SCHEMBL28528748

Cc1nnc(S)n1N=Cc1cccc([N+](=O)[O-])c1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.83
HPGD P15428 5/20 0.59
HTT P42858 2/20 0.56
AMY1A P0DUB6 1/20 0.56
APOBEC3G Q9HC16 3/20 0.53
CYP1A2 P05177 1/20 0.52
KDM4E B2RXH2 3/20 0.49
KMT2A Q03164 5/20 0.49
MEN1 O00255 3/20 0.49
POLB P06746 1/20 0.48
LMNA P02545 3/20 0.47
MAPK1 P28482 1/20 0.47
RECQL P46063 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GAA P10253 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MAPT P10636 3/20 0.46

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
SCHEMBL28524214 0.85 ALDH1A1 (0.59) ALDH1A1HPGDHTTAMY1AAPOBEC3G
SCHEMBL15780693 0.82 ALDH1A1 (0.59) ALDH1A1HPGDHTTAMY1AAPOBEC3G
SCHEMBL28527168 0.80 CYP1A2 (0.80) ALDH1A1HPGDHTTAPOBEC3GCYP1A2
SCHEMBL28521419 0.78 CYP1A2 (0.58) ALDH1A1HPGDHTTCYP1A2KDM4E
SCHEMBL28524362 0.78 CYP1A2 (0.58) ALDH1A1HPGDAPOBEC3GCYP1A2KDM4E
SCHEMBL28530258 0.78 CYP1A2 (0.58) ALDH1A1HPGDHTTCYP1A2KDM4E
SCHEMBL28524848 0.78 KMT2A (0.53) ALDH1A1HPGDHTTAPOBEC3GCYP1A2
SCHEMBL4441638 0.77 ALDH1A1 (0.67) ALDH1A1HPGDHTTAMY1AAPOBEC3G
SCHEMBL4441637 0.77 ALDH1A1 (0.67) ALDH1A1HPGDHTTAMY1AAPOBEC3G
SCHEMBL28520476 0.76 MAPT (0.62) ALDH1A1HPGDAPOBEC3GCYP1A2KDM4E

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