SCHEMBL10654497

SCHEMBL10654497

CSc1cccc(-n2c3c(c(=O)c4cccnc42)CCCO3)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.41
PDE4D Q08499 2/20 0.41
PDE4A P27815 5/20 0.38
KCNH2 Q12809 3/20 0.38
TNF P01375 1/20 0.36
LITAF Q99732 1/20 0.36
ALOX5 P09917 1/20 0.35
MAPT P10636 2/20 0.35
ACHE P22303 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
ALOX15 P16050 2/20 0.33
TSHR P16473 2/20 0.33
HPGD P15428 1/20 0.33
FEN1 P39748 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
ALOX12 P18054 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
SCHEMBL10661889 0.94 PDE4B (0.43) PDE4BPDE4DPDE4AKCNH2TNF
SCHEMBL10658525 0.88 PDE4B (0.38) PDE4BPDE4DTNFLITAFALOX5
SCHEMBL10377465 0.86 MAPT (0.45) PDE4BPDE4DPDE4AMAPTACHE
SCHEMBL10378415 0.86 EPHB4 (0.44) PDE4BPDE4DALOX5MAPTLMNA
SCHEMBL10659605 0.85 PDE4B (0.41) PDE4BPDE4DPDE4AKCNH2TNF
SCHEMBL9628997 0.85 FEN1 (0.45) PDE4BPDE4DPDE4AKCNH2ACHE
SCHEMBL9132418 0.84 PDE4B (0.45) PDE4BPDE4DPDE4AKCNH2TNF
SCHEMBL10657816 0.83 HPGD (0.40) TNFLITAFALOX5MAPTALOX15
SCHEMBL9628863 0.82 CYP2C19 (0.43) PDE4BPDE4DPDE4AACHETSHR
SCHEMBL10739639 0.81 PDE4B (0.39) PDE4BPDE4DTNFLITAFALOX5

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