SCHEMBL6585740

SCHEMBL6585740

COC(=O)CCCc1nnc(-c2nccs2)c2cc(OC)ccc12

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.61
PDE4B Q07343 3/20 0.61
PDE4C Q08493 3/20 0.61
PDE4D Q08499 3/20 0.61
DYRK1A Q13627 5/20 0.42
RAB9A P51151 4/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 1/20 0.41
NPC1 O15118 3/20 0.39
RXFP1 Q9HBX9 1/20 0.39
GPBAR1 Q8TDU6 1/20 0.38
PKM P14618 1/20 0.38
ECE1 P42892 1/20 0.38
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 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
SCHEMBL6585696 0.93 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DDYRK1A
SCHEMBL6591289 0.93 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DDYRK1A
SCHEMBL6589117 0.92 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DRAB9A
SCHEMBL6588117 0.88 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DDYRK1A
SCHEMBL6584319 0.88 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DDYRK1A
SCHEMBL6587163 0.85 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DDYRK1A
SCHEMBL6585389 0.80 DYRK1A (0.42) PDE4APDE4BPDE4CPDE4DDYRK1A
SCHEMBL6589533 0.76 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DGPBAR1
SCHEMBL6587943 0.75 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DDYRK1A
SCHEMBL6589118 0.72 SMN1; SMN2 (0.50) DYRK1ALMNA

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