SCHEMBL7443605

SCHEMBL7443605

CC(C)(C)c1cc(-c2cccc([N+](=O)[O-])c2)c2ncccc2c1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 10/20 0.61
PDE4B Q07343 4/20 0.61
PDE4D Q08499 12/20 0.56
PDE4C Q08493 7/20 0.55
TOP1 P11387 1/20 0.53
CYP2C9 P11712 6/20 0.52

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
SCHEMBL27424554 0.88 PDE4A (0.59) PDE4APDE4BPDE4DPDE4CTOP1
SCHEMBL5257263 0.86 CYP2C9 (0.73) PDE4APDE4BPDE4DPDE4CCYP2C9
SCHEMBL7438217 0.84 PDE4A (0.65) PDE4APDE4BPDE4DPDE4CTOP1
SCHEMBL7445324 0.82 PDE4D (0.71) PDE4APDE4BPDE4DPDE4CTOP1
SCHEMBL7441260 0.81 PDE4A (0.61) PDE4APDE4BPDE4DPDE4CTOP1
SCHEMBL7450694 0.81 PDE4A (0.74) PDE4APDE4BPDE4DPDE4CTOP1
Hydrochloric Acid SCHEMBL9130372 0.80 PDE4A (0.60) PDE4APDE4BPDE4DPDE4CTOP1
SCHEMBL7433402 0.80 PDE4A (0.65) PDE4APDE4BPDE4DPDE4CTOP1
SCHEMBL7439484 0.79 PDE4A (0.71) PDE4APDE4BPDE4DPDE4CTOP1
SCHEMBL7441849 0.79 PDE4A (0.59) PDE4APDE4BPDE4DPDE4CTOP1

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