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SCHEMBL5763795

SCHEMBL5763795

CCOC(=O)C(CCNC(=O)COc1ccc(S(=O)(=O)n2c([S+]([O-])Cc3nccc(OCC(F)(F)F)c3C)nc3ccccc32)c(C(C)C)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.33
▸ PSEN1 P49768 1/20 0.31
▸ PSEN2 P49810 1/20 0.31
▸ APH1B Q8WW43 1/20 0.31
▸ NCSTN Q92542 1/20 0.31
▸ APH1A Q96BI3 1/20 0.31
▸ PSENEN Q9NZ42 1/20 0.31
▸ MAPT P10636 2/20 0.30
▸ ALDH1A1 P00352 1/20 0.30

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
SCHEMBL5763543 0.88 HPGD (0.33) HPGDPSEN1PSEN2APH1BNCSTN
SCHEMBL5760967 0.84 MAPT (0.35) HPGDPSEN1PSEN2APH1BNCSTN
SCHEMBL5760950 0.83 MAPT (0.35) HPGDMAPTALDH1A1
SCHEMBL5760941 0.83 MAPT (0.35) HPGDPSEN1PSEN2APH1BNCSTN
SCHEMBL5763486 0.82 MAPT (0.40) HPGDPSEN1PSEN2APH1BNCSTN
SCHEMBL5763457 0.81 MAPT (0.40) HPGDPSEN1PSEN2APH1BNCSTN
SCHEMBL5763465 0.81 MAPT (0.40) HPGDPSEN1PSEN2APH1BNCSTN
SCHEMBL6506956 0.79 HPGD (0.33) HPGDMAPTALDH1A1
SCHEMBL5763755 0.79 HPGD (0.36) HPGDPSEN1PSEN2APH1BNCSTN
SCHEMBL5760528 0.77 HPGD (0.34) HPGDMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1556371-B1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PRODRUGS OF PROTON PUMP INHIBITOR WINSTON PHARMACEUTICALS LLC (US) 2006-04-19 — — EP disclosed