SCHEMBL9715610

SCHEMBL9715610

O=c1c(Br)c(O)c2cccnc2n1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 1/20 0.58
PDE4A P27815 7/20 0.53
PDE4B Q07343 6/20 0.53
PDE4C Q08493 6/20 0.53
PDE4D Q08499 6/20 0.53
ALDH1A1 P00352 3/20 0.50
TSHR P16473 1/20 0.50
CYP2C19 P33261 1/20 0.50
LOXL3 P58215 1/20 0.47
LOXL2 Q9Y4K0 1/20 0.47
PDE1A P54750 1/20 0.46
PDE1B Q01064 1/20 0.46
MAPK1 P28482 2/20 0.45
LDHA P00338 1/20 0.44
PDE7A Q13946 1/20 0.41
KAT2B Q92831 1/20 0.41
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL10427752 0.85 KMT2A (0.50) FEN1PDE4APDE4BPDE4CPDE4D
SCHEMBL10412161 0.83 FEN1 (0.58) FEN1PDE4APDE4BPDE4CPDE4D
SCHEMBL10421586 0.81 FEN1 (0.56) FEN1PDE4APDE4BPDE4CPDE4D
SCHEMBL8802904 0.80 FEN1 (0.54) FEN1PDE4APDE4BPDE4CPDE4D
SCHEMBL9351767 0.80 FEN1 (0.54) FEN1PDE4APDE4BPDE4CPDE4D
SCHEMBL8802662 0.80 FEN1 (0.54) FEN1PDE4APDE4BPDE4CPDE4D
SCHEMBL8804203 0.80 FEN1 (0.54) FEN1PDE4APDE4BPDE4CPDE4D
SCHEMBL7279582 0.79 FEN1 (0.53) FEN1PDE4APDE4BPDE4CPDE4D
SCHEMBL10427761 0.79 P4HTM (0.39) FEN1PDE4APDE4BPDE4CPDE4D
SCHEMBL10427737 0.79 FEN1 (0.39) 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 8 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 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
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