SCHEMBL6323935

SCHEMBL6323935

COc1ccc(-c2noc(CCC(=O)N(C)CCCNc3n[nH]c(=O)c4ccccc34)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.52
▸ TSHR P16473 4/20 0.50
▸ HPGD P15428 3/20 0.50
▸ LMNA P02545 7/20 0.49
▸ ATM Q13315 1/20 0.48
▸ DNMT3B Q9UBC3 1/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ HTT P42858 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ HDAC1 Q13547 2/20 0.45
▸ GAA P10253 2/20 0.45
▸ HDAC2 Q92769 1/20 0.44

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
SCHEMBL6328474 0.87 GAA (0.57) MAPTTSHRHPGDLMNAATM
SCHEMBL6325218 0.85 MAPT (0.53) MAPTTSHRHPGDLMNAATM
SCHEMBL6323563 0.85 TSHR (0.57) MAPTTSHRHPGDLMNAATM
SCHEMBL6328207 0.84 GAA (0.53) MAPTTSHRHPGDLMNASMN1; SMN2
SCHEMBL6332336 0.84 GAA (0.53) MAPTTSHRHPGDLMNASMN1; SMN2
SCHEMBL6323049 0.83 HPGD (0.56) MAPTTSHRHPGDLMNAATM
SCHEMBL6334966 0.83 MAPT (0.53) MAPTTSHRHPGDLMNAATM
SCHEMBL6333150 0.82 TP53 (0.50) MAPTTSHRHPGDLMNASMN1; SMN2
SCHEMBL6328370 0.81 KMT2A (0.48) MAPTTSHRHPGDLMNASMN1; SMN2
SCHEMBL6333224 0.81 HPGD (0.50) MAPTTSHRHPGDLMNASMN1; SMN2

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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