SCHEMBL6586401

SCHEMBL6586401

COc1ccc2c(c1)C(N1CCCC1=O)N=NC2Cc1c(Cl)cncc1Cl

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 14/20 0.39
PDE4B Q07343 14/20 0.39
PDE4C Q08493 14/20 0.39
PDE4D Q08499 14/20 0.39
KDM4E B2RXH2 1/20 0.35
KMT2A Q03164 1/20 0.35
MTNR1B P49286 2/20 0.34
MTNR1A P48039 1/20 0.34
PDCD1LG2 Q9BQ51 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33

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
SCHEMBL7655256 0.86 MAPT (0.35) KDM4EKMT2AMTNR1BMTNR1APDCD1LG2
SCHEMBL6586405 0.73 PDE4A (0.45) PDE4APDE4BPDE4CPDE4D
SCHEMBL6586855 0.69 PDE4A (0.43) PDE4APDE4BPDE4CPDE4D
SCHEMBL3945116 0.65 SIGMAR1 (0.36) PDCD1LG2CD274HCRTR1HCRTR2
SCHEMBL4518720 0.64 MTNR1B (0.56) KDM4EKMT2AMTNR1BMTNR1A
SCHEMBL6682094 0.63 ATM (0.57) PDE4APDE4BPDE4CPDE4D
SCHEMBL5503363 0.63 MMP13 (0.36) KDM4EKMT2APDCD1LG2CD274
SCHEMBL15617129 0.62 SIGMAR1 (0.54)
SCHEMBL16460307 0.62 SIGMAR1 (0.54)
SCHEMBL5500218 0.61 MMP13 (0.38) KDM4EKMT2APDCD1LG2CD274

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 2 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-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