SCHEMBL6587916

SCHEMBL6587916

COc1ccc2c(C(=O)c3c(Cl)cncc3Cl)n[n+]([O-])cc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 8/20 0.36
CYP11B2 P19099 8/20 0.36
CYP3A4 P08684 2/20 0.36
CYP17A1 P05093 2/20 0.36
CYP1A2 P05177 1/20 0.36
FLT3 P36888 1/20 0.34
PDE4A P27815 4/20 0.34
PDE4B Q07343 4/20 0.34
PDE4C Q08493 4/20 0.34
PDE4D Q08499 4/20 0.34
DYRK1A Q13627 2/20 0.34
CDK9 P50750 1/20 0.34
DYRK2 Q92630 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
CLK1 P49759 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
RAF1 P04049 1/20 0.33

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
SCHEMBL6588289 0.75 PDE4A (0.54) PDE4APDE4BPDE4CPDE4D
SCHEMBL6584721 0.69 PDE4B (0.52) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL5307497 0.68 EGFR (0.49) CYP11B1CYP11B2CYP3A4CYP17A1CYP1A2
SCHEMBL754055 0.62 KDM4E (0.49) CYP1A2DYRK1ACDK9DYRK2DYRK1B
SCHEMBL28062485 0.62 CYP11B1 (0.57) CYP11B1CYP11B2CYP3A4CYP17A1CYP1A2
SCHEMBL2439499 0.61 KDM4E (0.52) CYP11B1CYP11B2CYP3A4CYP1A2DYRK1A
SCHEMBL30223336 0.61 CYP11B1 (0.52) CYP11B1CYP11B2CYP3A4CYP1A2DYRK1A
SCHEMBL13379462 0.60 KDM4E (0.39) CYP1A2FLT3DYRK1ACDK9DYRK2
SCHEMBL13389261 0.60 MAPT (0.40) CYP1A2ALDH1A1LMNAMAPTHPGD
SCHEMBL21947679 0.58 CCNC (0.47) ALDH1A1LMNARAF1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1097142-B1 PHTHALAZINE DERIVATIVES PHOSPHODIESTERASE 4 INHIBITORS ZAMBON SPA (IT) 2004-10-13 EP disclosed
US-6492360-B1 Phthalazine derivatives phosphodiesterase 4 inhibitors ZAMBON GROUP S.P.A. (IT) 2002-12-10 US disclosed
US-6329370-B1 CARDIOVASCULAR DISORDERS AND TUMOR NECROSIS FACTOR (HEREINAFTER TNF.SUB..ALPHA.), A CYTOKINE WITH PRO-INFLAMMATORY ACTIVITY ZAMBON GROUP S.P.A. (IT) 2001-12-11 US disclosed
EP-1097142-A1 PHTHALAZINE DERIVATIVES PHOSPHODIESTERASE 4 INHIBITORS ZAMBON GROUP S.p.A. (IT) 2001-05-09 EP disclosed
WO-2000005218-A1 PHTHALAZINE DERIVATIVES PHOSPHODIESTERASE 4 INHIBITORS ZAMBON GROUP S.P.A. (IT) 2000-02-03 WO disclosed