SCHEMBL6584319

SCHEMBL6584319

COc1ccc2c(CCC(=O)NO)nnc(-c3nccs3)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.56
PDE4B Q07343 2/20 0.56
PDE4C Q08493 2/20 0.56
PDE4D Q08499 2/20 0.56
RAB9A P51151 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HDAC1 Q13547 4/20 0.40
HDAC6 Q9UBN7 3/20 0.40
LMNA P02545 1/20 0.40
NPC1 O15118 2/20 0.39
PKM P14618 1/20 0.39
GPBAR1 Q8TDU6 1/20 0.39
MTNR1A P48039 4/20 0.39
MTNR1B P49286 4/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
ADAM17 P78536 1/20 0.39
DYRK1A Q13627 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
SCHEMBL6589117 0.94 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DRAB9A
SCHEMBL6588117 0.89 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DRAB9A
SCHEMBL6585740 0.88 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DRAB9A
SCHEMBL6587163 0.86 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DRAB9A
SCHEMBL6591289 0.84 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DRAB9A
SCHEMBL6585696 0.84 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DRAB9A
SCHEMBL6589533 0.72 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DGPBAR1
SCHEMBL6587943 0.71 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DRAB9A
SCHEMBL12055321 0.68 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DRAB9A
SCHEMBL6585389 0.67 DYRK1A (0.42) PDE4APDE4BPDE4CPDE4DRAB9A

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 6 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
EP-1371648-A1 Phthalazine derivatives phosphodiesterase 4 inhibitors ZAMBON GROUP S.p.A. (IT) 2003-12-17 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