SCHEMBL7994826

SCHEMBL7994826

CCOC(=O)C(c1ccncc1)C(c1ccc(Oc2cccc([N+](=O)[O-])c2)nc1)c1ccc(OC(F)F)c(OC(F)F)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.33
MAPT P10636 2/20 0.33
PDE4A P27815 2/20 0.33
PDE4D Q08499 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33
THRB P10828 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PDE4C Q08493 1/20 0.33
MEN1 O00255 1/20 0.33
FBP1 P09467 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
SCN9A Q15858 1/20 0.32
FFAR1 O14842 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
AGTR1 P30556 1/20 0.32
EGFR P00533 1/20 0.32

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
SCHEMBL7990957 0.92 RAB9A (0.39) PDE4BMAPTPDE4APDE4DKMT2A
SCHEMBL7991148 0.82 PDE4A (0.34) PDE4BPDE4APDE4DPDE4CFBP1
SCHEMBL7996011 0.82 LMNA (0.41) PDE4BPDE4APDE4DKMT2APDE4C
SCHEMBL7991156 0.80 MEN1 (0.39) PDE4BMAPTPDE4AKMT2AMEN1
SCHEMBL7908336 0.78 PDE4A (0.38) PDE4BPDE4APDE4DPDE4CFBP1
SCHEMBL7992704 0.76 F7 (0.36) PDE4BPDE4APDE4DPDE4CFFAR1
SCHEMBL7991279 0.75 PDE4A (0.33) PDE4BPDE4APDE4DPDE4CFBP1
SCHEMBL7904298 0.72 PDE4A (0.43) PDE4BPDE4APDE4DPDE4CHPGD
SCHEMBL5942886 0.71 MAPK1 (0.37) PDE4BMAPTPDE4APDE4DKMT2A
SCHEMBL7991261 0.70 HSPB1 (0.48) MAPTPDE4AKMT2AGAATDP1

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-6180650-B1 ANTIINFLAMMATORY AGENTS; RESPIRATORY SYSTEM DISORDERS; SKIN DISORDERS; ANTITUMOR AGENTS MERCK FROSST CANADA & CO. (CA) 2001-01-30 US disclosed