SCHEMBL6223621

SCHEMBL6223621

O=CC(=O)N(c1ccc(C(=O)O)cc1)c1cn(Cc2ccc(F)cc2)c2ncccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 3/20 0.45
▸ PDE4A P27815 1/20 0.45
▸ PDE4B Q07343 1/20 0.45
▸ PDE4C Q08493 1/20 0.45
▸ PDE4D Q08499 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ PABPC1 P11940 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ ENPP2 Q13822 2/20 0.43
▸ CNR1 P21554 1/20 0.41
▸ CNR2 P34972 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ SENP8 Q96LD8 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41

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
SCHEMBL6222754 0.90 PDE4A (0.49) TP53PDE4APDE4BPDE4CPDE4D
SCHEMBL6226018 0.88 TSHR (0.43) PDE4APDE4BPDE4CPDE4DENPP2
SCHEMBL6225092 0.83 PDE4A (0.42) TP53PDE4APDE4BPDE4CPDE4D
SCHEMBL7021842 0.83 TP53 (0.47) TP53PDE4APDE4BPDE4CPDE4D
SCHEMBL6224864 0.82 PDE4A (0.57) TP53PDE4APDE4BPDE4CPDE4D
SCHEMBL6224031 0.81 CNR1 (0.42) TP53PDE4APDE4BPDE4CPDE4D
SCHEMBL6222292 0.80 PDE4A (0.44) TP53PDE4APDE4BPDE4CPDE4D
SCHEMBL6224563 0.78 CNR2 (0.42) TP53PDE4APDE4BPDE4CPDE4D
SCHEMBL6224508 0.77 CNR2 (0.42) TP53PDE4APDE4BPDE4CPDE4D
SCHEMBL6222614 0.76 CNR2 (0.41) TP53PDE4APDE4BPDE4CPDE4D

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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