SCHEMBL6589117

SCHEMBL6589117

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.57
PDE4B Q07343 2/20 0.57
PDE4C Q08493 2/20 0.57
PDE4D Q08499 2/20 0.57
LMNA P02545 1/20 0.43
MEN1 O00255 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HDAC1 Q13547 15/20 0.41
HDAC2 Q92769 8/20 0.41
HDAC6 Q9UBN7 12/20 0.41
HDAC3 O15379 11/20 0.41
HDAC4 P56524 6/20 0.40
HDAC7 Q8WUI4 6/20 0.40
HDAC10 Q969S8 6/20 0.40
HDAC11 Q96DB2 6/20 0.40
HDAC8 Q9BY41 6/20 0.40
HDAC9 Q9UKV0 6/20 0.40
HDAC5 Q9UQL6 6/20 0.40

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
SCHEMBL6584319 0.94 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL6585740 0.92 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL6591289 0.89 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL6585696 0.89 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL6588117 0.85 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL6587163 0.82 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL6589533 0.73 PDE4A (1.00) PDE4APDE4BPDE4CPDE4D
SCHEMBL6585389 0.72 DYRK1A (0.42) PDE4APDE4BPDE4CPDE4DRAB9A
SCHEMBL6587943 0.72 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL12055321 0.67 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DMEN1

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