SCHEMBL27489306

SCHEMBL27489306

CC(=O)Oc1cccnc1-c1cccc([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 10/20 0.55
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HSP90AA1 P07900 1/20 0.48
CCR6 P51684 1/20 0.48
PDE4A P27815 7/20 0.48
PDE4C Q08493 5/20 0.48
PDE4B Q07343 2/20 0.47
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
IDO1 P14902 1/20 0.45
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
ALDH1A1 P00352 2/20 0.44
PKM P14618 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL7230440 0.84 PDE4D (0.60) PDE4DKDM4EMAPTL3MBTL1PDE4A
SCHEMBL27504690 0.79 MAP4K4 (0.44) KDM4EL3MBTL1POLBTDP1ALDH1A1
SCHEMBL7232506 0.78 PDE4D (0.53) PDE4DKDM4EMAPTNPSR1L3MBTL1
SCHEMBL4049358 0.78 DYRK1A (0.51) PDE4DKDM4EMAPTL3MBTL1PDE4A
SCHEMBL9002865 0.78 PDE4D (0.61) PDE4DKDM4EMAPTNPSR1L3MBTL1
SCHEMBL6433855 0.78 PDE4D (0.55) PDE4DKDM4EMAPTNPSR1L3MBTL1
SCHEMBL7230945 0.77 PDE4D (0.64) PDE4DKDM4EMAPTNPSR1L3MBTL1
SCHEMBL7273341 0.76 PDE4D (0.60) PDE4DKDM4EMAPTPDE4APDE4C
SCHEMBL10768030 0.76 PDE4D (0.60) PDE4DKDM4EMAPTPDE4APDE4C
SCHEMBL6717844 0.76 ALDH1A1 (0.48) KDM4EMAPTL3MBTL1TDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1214008-C Therapeutic biaryl derivatives GLAXO GROUP LTD (GB) 2005-08-10 CN disclosed
CN-1312800-A Therapeutic biaryl derivatives GLAXO GROUP LTD (GB) 2001-09-12 CN disclosed