SCHEMBL6323049

SCHEMBL6323049

COc1ccc(-c2noc(CCC(=O)N(C)CCNC(=O)Cc3n[nH]c(=O)c4ccccc34)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.56
▸ TSHR P16473 3/20 0.56
▸ MAPT P10636 6/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ GAA P10253 2/20 0.48
▸ LMNA P02545 4/20 0.47
▸ HTT P42858 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ ATM Q13315 1/20 0.47
▸ DNMT3B Q9UBC3 1/20 0.46
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 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
SCHEMBL6325218 0.90 MAPT (0.53) HPGDTSHRMAPTSMN1; SMN2GAA
SCHEMBL6324750 0.90 TSHR (0.57) HPGDTSHRMAPTSMN1; SMN2GAA
SCHEMBL6334966 0.86 MAPT (0.53) HPGDTSHRMAPTSMN1; SMN2LMNA
SCHEMBL6323935 0.83 MAPT (0.52) HPGDTSHRMAPTSMN1; SMN2GAA
SCHEMBL6328013 0.82 TSHR (0.57) HPGDTSHRMAPTSMN1; SMN2GAA
SCHEMBL6323563 0.79 TSHR (0.57) HPGDTSHRMAPTSMN1; SMN2GAA
SCHEMBL6324626 0.78 DNMT3B (0.57) HPGDTSHRMAPTGAALMNA
SCHEMBL6328474 0.78 GAA (0.57) HPGDTSHRMAPTSMN1; SMN2GAA
SCHEMBL6328082 0.77 DNMT3B (0.52) HPGDTSHRMAPTGAALMNA
SCHEMBL6333150 0.76 TP53 (0.50) HPGDTSHRMAPTSMN1; SMN2GAA

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
Send feedback