SCHEMBL6586028

SCHEMBL6586028

COc1ccc2c(=O)[nH]ncc2c1C#CCCCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.55
PDE4B Q07343 3/20 0.55
PDE4C Q08493 3/20 0.55
PDE4D Q08499 3/20 0.55
GRM5 P41594 1/20 0.38
EGFR P00533 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
CXCR2 P25025 1/20 0.36
SIGMAR1 Q99720 3/20 0.35
EBP Q15125 2/20 0.35
TMEM97 Q5BJF2 1/20 0.35
DAO P14920 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL6586957 0.79 GRM5 (0.41) PDE4APDE4BPDE4CPDE4DGRM5
SCHEMBL6587107 0.77 PDE4D (0.71) PDE4APDE4BPDE4CPDE4DGRM5
SCHEMBL6586037 0.76 PDE4D (0.53) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL6585379 0.74 ALDH1A1 (0.42) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL6588310 0.72 ALDH1A1 (0.44) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL6589108 0.71 ALDH1A1 (0.45) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL6584106 0.71 ALDH1A1 (0.39) PDE4APDE4BPDE4CPDE4DGRM5
SCHEMBL6586660 0.71 PDE4D (1.00) PDE4APDE4BPDE4CPDE4D
SCHEMBL6586794 0.66 ALDH1A1 (0.48) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL22342553 0.65 GRM5 (0.53) PDE4APDE4BPDE4CPDE4DGRM5

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