SCHEMBL6226018

SCHEMBL6226018

CCOC(=O)c1ccc(N(C(=O)C=O)c2cn(Cc3ccc(F)cc3)c3ncccc23)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ MAPK10 P53779 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ PDE4A P27815 1/20 0.42
▸ PDE4B Q07343 1/20 0.42
▸ PDE4C Q08493 1/20 0.42
▸ PDE4D Q08499 1/20 0.42
▸ MAOB P27338 1/20 0.41
▸ ELANE P08246 5/20 0.39
▸ F2RL3 Q96RI0 1/20 0.39
▸ S1PR3 Q99500 2/20 0.39
▸ CNR1 P21554 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ THRB P10828 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL6223621 0.88 TP53 (0.45) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL6222754 0.85 PDE4A (0.49) SMN1; SMN2PDE4APDE4BPDE4CPDE4D
SCHEMBL6225092 0.82 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL6224864 0.78 PDE4A (0.57) SMN1; SMN2PDE4APDE4BPDE4CPDE4D
SCHEMBL6224563 0.77 CNR2 (0.42) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL6224031 0.77 CNR1 (0.42) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL6224508 0.77 CNR2 (0.42) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL6222292 0.76 PDE4A (0.44) SMN1; SMN2PDE4APDE4BPDE4CPDE4D
SCHEMBL6222614 0.75 CNR2 (0.41) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL5557020 0.75 PDE4A (0.62) TSHRRECQLMAPK10SMN1; SMN2PDE4A

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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