SCHEMBL6222086

SCHEMBL6222086

COc1ccc(Cn2cc(N(C(=O)C=O)c3c(Cl)cncc3Cl)c3cccnc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 2/20 0.44
▸ PDE4B Q07343 2/20 0.44
▸ PDE4C Q08493 2/20 0.44
▸ PDE4D Q08499 2/20 0.44
▸ PTGDR2 Q9Y5Y4 1/20 0.42
▸ ENPP2 Q13822 2/20 0.39
▸ MAPT P10636 5/20 0.38
▸ THRB P10828 1/20 0.38
▸ AHR P35869 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ BCL2A1 Q16548 1/20 0.37
▸ TP53 P04637 2/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ NOD2 Q9HC29 1/20 0.36
▸ CNR1 P21554 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ PTPN11 Q06124 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35

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
SCHEMBL6223444 0.91 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DENPP2
SCHEMBL6221716 0.90 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DPTGDR2
SCHEMBL6221877 0.89 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DPTGDR2
SCHEMBL6223092 0.89 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DPTGDR2
SCHEMBL6224864 0.88 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL6220894 0.84 CNR2 (0.46) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL6224573 0.84 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DPTGDR2
SCHEMBL6222412 0.83 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DPTGDR2
SCHEMBL6221652 0.83 CNR1 (0.44) PDE4APDE4BPDE4CPDE4DPTGDR2
SCHEMBL6222256 0.81 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DPTGDR2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1330455-B1 NOVEL 7-AZAINDOLES, USE THEREOF AS PHOSPHODIESTERASE 4 INHIBITORS AND METHOD FOR PRODUCING THE SAME ELBION AG (DE) 2005-08-03 — — EP claimed
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