SCHEMBL6585632

SCHEMBL6585632

COc1ccc2c(Cl)nnc(-c3ccccc3)c2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.60
PDE4B Q07343 1/20 0.60
PDE4C Q08493 1/20 0.60
PDE4D Q08499 1/20 0.60
BCHE P06276 1/20 0.45
KDM4E B2RXH2 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 4/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
LMNA P02545 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
HTT P42858 1/20 0.43
PIN1 Q13526 1/20 0.42
HPGD P15428 2/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL4845442 0.94 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DBCHE
SCHEMBL4843388 0.91 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DBCHE
SCHEMBL4122604 0.84 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL4833986 0.84 CA9 (0.47) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL31359827 0.83 NPSR1 (0.57) KDM4ESMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL1396133 0.83 NPSR1 (0.57) KDM4ESMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL4834009 0.82 DHODH (0.48) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL26690613 0.82 KDM4E (0.45) KDM4ESMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL4834709 0.81 CNR1 (0.45) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL4834669 0.81 HTT (0.48) PDE4APDE4BPDE4CPDE4DKDM4E

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