SCHEMBL10656123

SCHEMBL10656123

CC1Cc2c(c3cccnc3n(-c3cccc([S+](C)[O-])c3)c2=O)O1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 7/20 0.35
PDE4B Q07343 6/20 0.34
PDE4C Q08493 6/20 0.34
PDE4D Q08499 6/20 0.34
HPGD P15428 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
FEN1 P39748 1/20 0.33
LDHA P00338 1/20 0.32
CREBBP Q92793 4/20 0.32
BRD4 O60885 3/20 0.32
CYP2C9 P11712 1/20 0.31

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
SCHEMBL9630898 0.85 HPGD (0.49) PDE4APDE4BPDE4CPDE4DHPGD
SCHEMBL10654511 0.85 PDE4A (0.34) PDE4APDE4BPDE4CPDE4DHPGD
SCHEMBL9629927 0.83 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DHPGD
SCHEMBL9629788 0.83 KAT2B (0.45) PDE4BPDE4DHPGDMAPTKDM4E
SCHEMBL10661052 0.82 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DHPGD
SCHEMBL10739188 0.82 PDE4B (0.43) PDE4APDE4BPDE4CPDE4DHPGD
SCHEMBL10654514 0.82 PDE4B (0.42) PDE4BPDE4DHPGDCYP1A2MAPT
SCHEMBL10659535 0.82 TNF (0.39) PDE4APDE4BPDE4CPDE4DHPGD
SCHEMBL9629709 0.81 HPGD (0.40) PDE4APDE4BPDE4CPDE4DHPGD
SCHEMBL9630048 0.80 KAT2B (0.42) PDE4BPDE4DHPGDCYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4740511-A ANTIALLERGENS, ANTIINFLAMMATORY, ANTIULCER AGENTS SCHERING CORPORATION (US) 1988-04-26 US disclosed
US-4680298-A Tricyclic anti-allergy and use as anti-inflammatory agents SCHERING CORPORATION (US) 1987-07-14 US disclosed
US-4680297-A Tricyclic positive inotropic agents SCHERING CORPORATION (US) 1987-07-14 US disclosed
EP-0127135-A2 Fused tricyclic derivatives of naphthyridinone and pyridone and the corresponding thiones SCHERING CORPORATION (US) 1984-12-05 EP disclosed