SCHEMBL10378488

SCHEMBL10378488

O=c1c2c(n(-c3cc(Cl)ccc3Cl)c3ncccc13)OCC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.36
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
MAPT P10636 3/20 0.35
HPGD P15428 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
IDO1 P14902 1/20 0.35
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTR6 P50406 1/20 0.32
PDE4B Q07343 5/20 0.32
PDE4D Q08499 3/20 0.32
PDE4A P27815 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL9628931 0.84 MAPT (0.46) DDB1CRBNMAPTHPGDMEN1
SCHEMBL9629163 0.84 HPGD (0.44) MAPTHPGDMEN1CYP1A2CYP2C19
SCHEMBL9629013 0.84 MAPT (0.38) TNKSDDB1CRBNMAPTHPGD
SCHEMBL10379019 0.83 MAPT (0.35) MAPTHPGDMEN1CYP1A2CYP2C19
SCHEMBL9629152 0.83 KAT2B (0.42) MAPTHPGDCYP1A2CYP2C19ALDH1A1
SCHEMBL10378767 0.83 MAPT (0.37) TNKSDDB1CRBNMAPTHPGD
SCHEMBL10658841 0.81 PDE4B (0.42) MAPTHPGDMEN1CYP1A2CYP2C19
SCHEMBL10377465 0.78 MAPT (0.45) DDB1CRBNMAPTHPGDMEN1
SCHEMBL9352322 0.78 FEN1 (0.47) CYP2C19ALDH1A1PDE4BPDE4DPDE4A
SCHEMBL9629205 0.78 HPGD (0.43) MAPTHPGDMEN1CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0127135-B1 FUSED TRICYCLIC DERIVATIVES OF NAPHTHYRIDINONE AND PYRIDONE AND THE CORRESPONDING THIONES SCHERING CORPORATION (US) 1990-08-29 EP disclosed
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