SCHEMBL9488229

SCHEMBL9488229

O=c1c([N+]2([O-])CCCC2)c(O)c2cccnc2n1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 1/20 0.49
PDE4A P27815 7/20 0.46
PDE4B Q07343 6/20 0.46
PDE4C Q08493 6/20 0.46
PDE4D Q08499 6/20 0.46
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
PDE1A P54750 1/20 0.40
PDE1B Q01064 1/20 0.40
LOXL3 P58215 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
LDHA P00338 1/20 0.38
MAPK1 P28482 1/20 0.37
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL9629791 0.99 FEN1 (0.48) FEN1PDE4APDE4BPDE4CPDE4D
SCHEMBL9629023 0.90 FEN1 (0.46) FEN1PDE4APDE4BPDE4CPDE4D
SCHEMBL10427749 0.87 MEN1 (0.42) FEN1PDE4APDE4BPDE4DALDH1A1
SCHEMBL10582954 0.87 FEN1 (0.44) FEN1PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL9715619 0.86 FEN1 (0.49) FEN1PDE4APDE4BPDE4CPDE4D
SCHEMBL9629996 0.86 FEN1 (0.49) FEN1PDE4APDE4BPDE4CPDE4D
Water SCHEMBL9629048 0.85 FEN1 (0.48) FEN1PDE4APDE4BPDE4CPDE4D
SCHEMBL10580192 0.85 FEN1 (0.36) FEN1PDE4APDE4BPDE4CPDE4D
SCHEMBL9715624 0.82 FEN1 (0.33) FEN1CNR1CNR2
SCHEMBL9628941 0.82 FEN1 (0.41) FEN1PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0232328-B1 ZWITTERIONIC BICYCLIC COMPOUNDS AND THEIR SALTS, SOLVATES, HYDRATES AND ESTERS SCHERING CORPORATION (US) 1992-04-15 EP claimed
EP-0338010-B1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF HYPERPROLIFERATE SKIN DISEASE SCHERING CORPORATION (US) 1992-02-05 EP claimed
EP-0338010-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF HYPERPROLIFERATE SKIN DISEASE. SCHERING CORP (US) 1989-10-25 EP claimed
US-4782067-A Anti-allergic composition containing zwitterionic bicyclic compounds SCHERING CORPORATION (US) 1988-11-01 US claimed
WO-1988004172-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF HYPERPROLIFERATE SKIN DISEASE SCHERING CORPORATION (US) 1988-06-16 WO claimed
US-5180823-A Processes for preparing bicyclic compounds SCHERING CORPORATION (US) 1993-01-19 US disclosed
EP-0232328-B1 ZWITTERIONIC BICYCLIC COMPOUNDS AND THEIR SALTS, SOLVATES, HYDRATES AND ESTERS SCHERING CORPORATION (US) 1992-04-15 EP disclosed
US-5079360-A Processes for preparing bicyclic compounds and intermediates thereof SCHERING CORPORATION (US) 1992-01-07 US disclosed
US-4902693-A Anti-allergic esters, acetal ethers, thioethers and nitrogen substituted derivatives of bicyclic compounds SCHERING CORPORATION (US) 1990-02-20 US disclosed
US-4897487-A Process for preparing intermediates for pharmaceutically useful bicyclic compounds SCHERING CORPORATION (US) 1990-01-30 US disclosed
EP-0302303-A2 Bicyclic compounds, their use as pharmaceuticals, their preparation, and intermediates useful in their preparation SCHERING CORPORATION (US) 1989-02-08 EP disclosed
US-4794116-A ANTIINFLAMMATORY AGENTS, CYTOPROTECTIVE AGENTS IN TREATMENT OF HYPERPROLIFERATIVE SKIN DISEASE SCHERING CORPORATION (US) 1988-12-27 US disclosed
US-4782067-A Anti-allergic composition containing zwitterionic bicyclic compounds SCHERING CORPORATION (US) 1988-11-01 US disclosed
EP-0232328-A1 ZWITTERIONIC BICYCLIC COMPOUNDS AND THEIR SALTS, SOLVATES, HYDRATES AND ESTERS. SCHERING CORP (US) 1987-08-19 EP disclosed
US-4684727-A Zwitterionic 1,8-naphthyridine and pyrazino[2,3-b]pyridine containing compounds useful as anti-allergic, anti-inflammatory and cycloprotective agents SCHERING CORPORATION (US) 1987-08-04 US disclosed
WO-1987000752-A2 ZWITTERIONIC BICYCLIC COMPOUNDS AND THEIR SALTS, SOLVATES, HYDRATES AND ESTERS SCHERING CORPORATION (US) 1987-02-12 WO disclosed