SCHEMBL6586957

SCHEMBL6586957

COc1ccc2c(=O)[nH]ncc2c1C#Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.41
KCNH2 Q12809 2/20 0.41
PDE4B Q07343 2/20 0.40
PDE4A P27815 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPK1 P28482 1/20 0.40
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
PARP1 P09874 1/20 0.38
PRKCI P41743 1/20 0.38
AAK1 Q2M2I8 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL6584106 0.89 ALDH1A1 (0.39) GRM5KCNH2PDE4BPDE4APDE4C
SCHEMBL6585379 0.82 ALDH1A1 (0.42) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL6588310 0.80 ALDH1A1 (0.44) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL6586028 0.79 PDE4A (0.55) GRM5PDE4BPDE4APDE4CPDE4D
SCHEMBL26259628 0.79 KCNH2 (0.51) GRM5KCNH2ALDH1A1PDGFRBPDGFRA
SCHEMBL6587932 0.73 PDE4A (0.45) GRM5KCNH2PDE4BPDE4APDE4C
SCHEMBL6586794 0.72 ALDH1A1 (0.48) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL24861080 0.71 ALDH1A1 (0.59) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL6589108 0.71 ALDH1A1 (0.45) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL26259291 0.70 MAPT (0.53) GRM5KCNH2KDM4EHPGDPDGFRB

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