SCHEMBL9819646

SCHEMBL9819646

O=[N+]([O-])c1cc2nc(O)cnc2c2nccnc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.47
HSP90AB1 P08238 1/20 0.47
MAPT P10636 8/20 0.41
KDM4E B2RXH2 6/20 0.41
ALDH1A1 P00352 6/20 0.41
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
CTSB P07858 3/20 0.41
IDO1 P14902 2/20 0.41
TDO2 P48775 2/20 0.41
GAA P10253 1/20 0.41
LMNA P02545 5/20 0.39
POLB P06746 2/20 0.39
GALR2 O43603 1/20 0.39
PDE10A Q9Y233 1/20 0.38
TDP1 Q9NUW8 5/20 0.38
HTT P42858 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
CASP6 P55212 3/20 0.38

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
SCHEMBL9534856 0.84 HSP90AA1 (0.49) HSP90AA1HSP90AB1MAPTKDM4EALDH1A1
SCHEMBL9819760 0.73 HSP90AA1 (0.33) HSP90AA1HSP90AB1MAPTKDM4EALDH1A1
SCHEMBL34471106 0.71 MEN1 (0.53) HSP90AA1HSP90AB1MAPTKDM4EALDH1A1
SCHEMBL20746698 0.69 MMP2 (0.33) CHRM1METAP2
Dnqx SCHEMBL1258964 0.68 POLB (0.57) HSP90AA1HSP90AB1MAPTKDM4EALDH1A1
SCHEMBL9670886 0.68 MAPT (0.65) HSP90AA1HSP90AB1MAPTKDM4EALDH1A1
SCHEMBL1351219 0.67 POLB (0.50) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL21638318 0.67 MEN1 (0.51) HSP90AA1HSP90AB1MAPTKDM4EALDH1A1
SCHEMBL9535035 0.67 CTSB (0.41) HSP90AA1HSP90AB1MAPTALDH1A1MEN1
SCHEMBL18743108 0.66 ALDH1A1 (0.50) ALDH1A1MEN1KMT2APOLBTDP1

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
US-5057516-A Nervous system disorders NOVO NORDISK A/S (DK) 1991-10-15 US disclosed