SCHEMBL10378461

SCHEMBL10378461

COc1cccc(-n2c(=O)c3c(c4cccnc42)OCCC3)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHB4 P54760 2/20 0.51
KAT2B Q92831 2/20 0.45
MAPT P10636 2/20 0.42
THRB P10828 1/20 0.42
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4D Q08499 1/20 0.40
LMNA P02545 1/20 0.40
ALOX5 P09917 1/20 0.38
NPC1 O15118 1/20 0.38
USP2 O75604 1/20 0.38

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
SCHEMBL9629787 0.97 EPHB4 (0.52) EPHB4KAT2BMAPTTHRBPOLB
SCHEMBL10377092 0.94 EPHB4 (0.48) EPHB4KAT2BMAPTTHRBPOLB
SCHEMBL9629703 0.90 PKM (0.45) EPHB4KAT2BMAPTTHRBPOLB
SCHEMBL10653938 0.87 EPHB4 (0.52) EPHB4KAT2BMAPTTHRBPOLB
SCHEMBL10377111 0.86 MAPT (0.47) EPHB4MAPTPDE4BPDE4DALOX5
SCHEMBL10659605 0.85 PDE4B (0.41) EPHB4MAPTPDE4BPDE4DALOX5
SCHEMBL9629723 0.85 FEN1 (0.48) KAT2BMAPTL3MBTL1PDE4BPDE4D
SCHEMBL10378415 0.84 EPHB4 (0.44) EPHB4KAT2BMAPTTHRBPOLB
SCHEMBL9628920 0.83 MAPT (0.46) EPHB4MAPTL3MBTL1PDE4BPDE4D
SCHEMBL9628888 0.83 PKM (0.47) KAT2BMAPTTHRBSMN1; SMN2PDE4B

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