SCHEMBL29683066

SCHEMBL29683066

O=[N+]([O-])c1ccc(-c2n[nH]c(=S)o2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.69
TYMP P19971 1/20 0.60
ALDH1A1 P00352 6/20 0.57
KDM4E B2RXH2 3/20 0.57
TDP1 Q9NUW8 2/20 0.57
HPGD P15428 1/20 0.57
PPARG P37231 1/20 0.57
NCOA2 Q15596 1/20 0.57
NCOA1 Q15788 1/20 0.57
RXFP1 Q9HBX9 1/20 0.57
APOBEC3G Q9HC16 2/20 0.49
MAPT P10636 5/20 0.48
RECQL P46063 1/20 0.48
QPCT Q16769 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47

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
SCHEMBL7316095 0.82 NOTUM (1.00) NOTUMMAPTMEN1KMT2AL3MBTL1
SCHEMBL30594886 0.74 TYMP (0.70) TYMPALDH1A1KDM4ETDP1HPGD
SCHEMBL9720227 0.73 MAPT (0.70) NOTUMALDH1A1MAPTMEN1KMT2A
SCHEMBL5567676 0.73 ALDH1A1 (1.00) NOTUMTYMPALDH1A1KDM4ETDP1
SCHEMBL17673661 0.72 APOBEC3G (0.68) NOTUMALDH1A1KDM4ETDP1HPGD
SCHEMBL17065364 0.72 ALDH1A1 (0.69) TYMPALDH1A1KDM4ETDP1HPGD
SCHEMBL22446486 0.70 NOTUM (0.55) NOTUMALDH1A1TDP1MAPTRECQL
SCHEMBL2835233 0.70 MAPT (0.60) NOTUMALDH1A1MAPTMEN1KMT2A
SCHEMBL10401832 0.70 MAPT (0.60) NOTUMALDH1A1MAPTMEN1KMT2A
SCHEMBL13984124 0.70 NOTUM (0.66) NOTUMTYMPALDH1A1KDM4ETDP1

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-112592339-B 1,3, 4-oxadiazole-2 (3H) -thione-norfloxacin heterozygote and preparation method and application thereof 广东省微生物研究所(广东省微生物分析检测中心) 2022-06-07 CN disclosed