SCHEMBL9564442

SCHEMBL9564442

O=C(O)c1cc(=O)c2cc([N+](=O)[O-])c(Cl)cc2n1C1CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41
POLB P06746 2/20 0.38
CCR2 P41597 1/20 0.36
ALDH1A1 P00352 3/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
NPC1 O15118 1/20 0.35
FASN P49327 1/20 0.34
VCAM1 P19320 1/20 0.34
CYP3A4 P08684 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GPR35 Q9HC97 1/20 0.33

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
SCHEMBL9564491 0.83 POLB (0.54) CA12CA9POLBALDH1A1LMNA
SCHEMBL10513589 0.74 PIK3CG (0.51) POLBALDH1A1LMNAMAPTNPC1
SCHEMBL27342078 0.70 KDM4E (0.41) ALDH1A1KDM4E
SCHEMBL10513596 0.69 POLB (0.46) CA12CA9POLBALDH1A1LMNA
SCHEMBL10863227 0.69 PIK3CG (0.51) POLBALDH1A1LMNAMAPTNPC1
SCHEMBL10923479 0.67 POLB (0.46) CA12CA9POLBALDH1A1LMNA
SCHEMBL15525167 0.66 POLB (0.55) POLBALDH1A1LMNAMAPTNPC1
SCHEMBL9564472 0.66 KDM4E (0.42) POLBALDH1A1LMNAMAPTNPC1
SCHEMBL10863231 0.65 POLB (0.41) CA12CA9POLBALDH1A1LMNA
SCHEMBL9564482 0.64 KDM4E (0.38) POLBALDH1A1LMNAMAPTNPC1

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
EP-0531958-A1 6-Aminoquinolones, their synthesis and their use as antibacterial agents MEDIOLANUM FARMACEUTICI S.P.A. (IT) 1993-03-17 EP disclosed