SCHEMBL6586299

SCHEMBL6586299

COc1ccc2c(Cl)nnc(CCCCc3ccccc3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 6/20 0.48
PDE4B Q07343 6/20 0.48
PDE4C Q08493 6/20 0.48
PDE4D Q08499 6/20 0.48
HTR2A P28223 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
PPARG P37231 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL4843440 0.87 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL6588161 0.83 PDE4A (0.71) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL4838839 0.83 ALDH1A1 (0.54) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL4843309 0.79 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL6585470 0.78 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL4841956 0.77 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL26690613 0.75 KDM4E (0.45) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL6587665 0.75 PARP1 (0.50) HTR2AMAPTPPARGGAA
SCHEMBL4842364 0.74 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL6587711 0.74 SHMT2 (0.54) PDE4APDE4BPDE4CPDE4D

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