SCHEMBL7562777

SCHEMBL7562777

COc1ccc2c(=O)[nH]ncc2c1OC1Cc2ccccc2C1.CS(=O)(=O)OC1Cc2ccccc2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 9/20 0.44
PDE4A P27815 7/20 0.44
PDE4C Q08493 7/20 0.44
PDE4D Q08499 7/20 0.44
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TIPARP Q7Z3E1 3/20 0.33
BRD4 O60885 2/20 0.33
ROCK2 O75116 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
NPY1R P25929 1/20 0.31
NPY2R P49146 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
AR P10275 1/20 0.31

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
SCHEMBL6584184 0.92 PDE4B (0.50) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL6585673 0.77 PDE4B (0.48) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL7508465 0.74 PDE4B (0.42) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL6584281 0.72 PDE4D (0.52) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL1415538 0.69 IDO1 (0.48) ALDH1A1
SCHEMBL6585114 0.68 PDE4B (0.52) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL6589108 0.67 ALDH1A1 (0.45) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL6584375 0.67 ALDH1A1 (0.45) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL6586794 0.64 ALDH1A1 (0.48) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL6586037 0.63 PDE4D (0.53) PDE4BPDE4APDE4CPDE4DALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1042300-A1 PHTHALAZINE DERIVATIVES PHOSPHODIESTERASE 4 INHIBITORS ZAMBON GROUP S.p.A. (IT) 2000-10-11 EP disclosed
WO-1999032456-A1 PHTHALAZINE DERIVATIVES PHOSPHODIESTERASE 4 INHIBITORS ZAMBON GROUP S.P.A. (IT) 1999-07-01 WO disclosed