SCHEMBL6586158

SCHEMBL6586158

COc1ccc2c(Cc3c(Cl)cncc3Cl)nnc(-c3csc(N)n3)c2c1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 14/20 0.66
PDE4B Q07343 14/20 0.66
PDE4C Q08493 14/20 0.66
PDE4D Q08499 14/20 0.66
MEN1 O00255 1/20 0.41
GFER P55789 1/20 0.41
KMT2A Q03164 1/20 0.41
LTA4H P09960 2/20 0.41
GAA P10253 1/20 0.41
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PTGS2 P35354 1/20 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
SCHEMBL6589533 0.80 PDE4A (1.00) PDE4APDE4BPDE4CPDE4D
SCHEMBL6586085 0.79 PDE4A (1.00) PDE4APDE4BPDE4CPDE4D
SCHEMBL6587900 0.78 PDE4A (0.72) PDE4APDE4BPDE4CPDE4D
SCHEMBL6589991 0.78 PDE4A (0.72) PDE4APDE4BPDE4CPDE4D
SCHEMBL4701651 0.78 PDE4A (0.72) PDE4APDE4BPDE4CPDE4D
SCHEMBL6589078 0.78 PDE4A (0.72) PDE4APDE4BPDE4CPDE4D
SCHEMBL4704462 0.78 PDE4A (0.68) PDE4APDE4BPDE4CPDE4D
SCHEMBL6587710 0.76 PDE4A (0.67) PDE4APDE4BPDE4CPDE4D
SCHEMBL6587423 0.76 PDE4A (0.69) PDE4APDE4BPDE4CPDE4D
SCHEMBL6627680 0.76 PDE4A (0.65) PDE4APDE4BPDE4CPDE4D

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 3 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