SCHEMBL6325218

SCHEMBL6325218

COc1ccc(-c2noc(CCC(=O)N(C)CCNCc3n[nH]c(=O)c4ccccc34)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.53
▸ TSHR P16473 4/20 0.51
▸ HPGD P15428 2/20 0.51
▸ LMNA P02545 6/20 0.49
▸ ATM Q13315 1/20 0.48
▸ DNMT3B Q9UBC3 1/20 0.48
▸ GAA P10253 3/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ HTT P42858 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ KDM4E B2RXH2 1/20 0.46

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
SCHEMBL6323049 0.90 HPGD (0.56) MAPTTSHRHPGDLMNAATM
SCHEMBL6334966 0.88 MAPT (0.53) MAPTTSHRHPGDLMNAATM
SCHEMBL6328013 0.87 TSHR (0.57) MAPTTSHRHPGDLMNAATM
SCHEMBL6323935 0.85 MAPT (0.52) MAPTTSHRHPGDLMNAATM
SCHEMBL6324750 0.81 TSHR (0.57) MAPTTSHRHPGDLMNAATM
SCHEMBL6324626 0.80 DNMT3B (0.57) MAPTTSHRHPGDLMNAATM
SCHEMBL6328082 0.78 DNMT3B (0.52) MAPTTSHRHPGDLMNAATM
SCHEMBL6324067 0.78 MAPT (0.72) MAPTTSHRHPGDLMNAATM
SCHEMBL6325619 0.78 CYP1A2 (0.58) MAPTTSHRHPGDLMNAGAA
SCHEMBL6323563 0.76 TSHR (0.57) MAPTTSHRHPGDLMNAATM

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
US-6924284-B2 PARP inhibitors ICOS CORPORATION (US) 2005-08-02 — — US disclosed
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