SCHEMBL8544530

SCHEMBL8544530

O=C(O)c1cc([N+](=O)[O-])c2cccnc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.56
▸ ALDH1A1 P00352 9/20 0.54
▸ MAPT P10636 8/20 0.54
▸ KDM4E B2RXH2 5/20 0.54
▸ KMT2A Q03164 5/20 0.52
▸ MEN1 O00255 4/20 0.52
▸ CTSB P07858 2/20 0.52
▸ GAA P10253 1/20 0.52
▸ IDO1 P14902 1/20 0.52
▸ TDO2 P48775 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ NCOA1 Q15788 1/20 0.49
▸ NCOA3 Q9Y6Q9 1/20 0.49
▸ CASP6 P55212 2/20 0.49
▸ HSP90AA1 P07900 2/20 0.48
▸ OPRK1 P41145 2/20 0.48
▸ HTT P42858 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ PKM P14618 1/20 0.48

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
SCHEMBL8544750 0.78 POLB (0.45) POLBALDH1A1MAPTKDM4EKMT2A
SCHEMBL2312934 0.77 POLB (0.50) POLBALDH1A1MAPTKDM4EKMT2A
SCHEMBL31067269 0.77 POLB (0.61) POLBALDH1A1MAPTKDM4EKMT2A
SCHEMBL10844067 0.77 POLB (0.61) POLBALDH1A1MAPTKDM4EKMT2A
SCHEMBL5865341 0.77 HSP90AA1 (0.67) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL10464631 0.76 DHODH (0.49) ALDH1A1MAPTKDM4EL3MBTL1SMN1; SMN2
SCHEMBL7243262 0.75 MEN1 (0.62) ALDH1A1KDM4EKMT2AMEN1CASP6
SCHEMBL7812084 0.75 MAPT (0.67) POLBALDH1A1MAPTKDM4EKMT2A
SCHEMBL10945219 0.75 CASP6 (0.62) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL27242758 0.74 MAPT (0.65) POLBALDH1A1MAPTKDM4EKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0581500-B1 Antibiotic carbapenem compounds ZENECA LTD (GB) 1998-09-09 — — EP disclosed
US-5441949-A Carbapenem antibiotic compounds ZENECA LIMITED (GB) 1995-08-15 — — US disclosed
EP-0581500-A1 Antibiotic carbapenem compounds ZENECA LIMITED (GB) 1994-02-02 — — EP disclosed
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