SCHEMBL7436868

SCHEMBL7436868

COc1ccc(Cc2cc(-c3cccc([N+](=O)[O-])c3)c3ncccc3c2)cc1

nearest known ligand 0.76

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 12/20 0.76
PDE4B Q07343 8/20 0.76
PDE4D Q08499 13/20 0.63
PDE4C Q08493 9/20 0.63
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
TOP1 P11387 1/20 0.46
MAPT P10636 1/20 0.45

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
SCHEMBL7435677 0.87 PDE4A (0.85) PDE4APDE4BPDE4DPDE4CTDP1
SCHEMBL7432993 0.87 PDE4A (0.80) PDE4APDE4BPDE4DPDE4CMEN1
SCHEMBL29367114 0.86 PDE4A (1.00) PDE4APDE4BPDE4DPDE4CKMT2A
SCHEMBL3698956 0.86 PDE4A (1.00) PDE4APDE4BPDE4DPDE4CKMT2A
SCHEMBL7434132 0.84 PDE4A (0.79) PDE4APDE4BPDE4DPDE4CTDP1
SCHEMBL7450694 0.83 PDE4A (0.74) PDE4APDE4BPDE4DPDE4CMEN1
SCHEMBL7442528 0.82 PDE4A (0.80) PDE4APDE4BPDE4DPDE4CTOP1
SCHEMBL7439484 0.81 PDE4A (0.71) PDE4APDE4BPDE4DPDE4CMEN1
SCHEMBL7444919 0.81 PDE4A (0.71) PDE4APDE4BPDE4DPDE4CMEN1
SCHEMBL7441893 0.81 PDE4A (0.74) PDE4APDE4BPDE4DPDE4CMEN1

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-0691966-B1 QUINOLINES AS TYPE IV PHOSPHODIESTERASE INHIBITORS SYNTEX INC (US) 1998-09-09 EP disclosed
EP-0691966-A1 QUINOLINES AS TYPE IV PHOSPHODIESTERASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1996-01-17 EP disclosed
WO-1994022852-A1 QUINOLINES AS TYPE IV PHOSPHODIESTERASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1994-10-13 WO disclosed