SCHEMBL6328130

SCHEMBL6328130

COc1ccc(-c2noc(CCC(=O)N3CCCN(Cc4n[nH]c(=O)c5ccccc45)CC3)n2)cc1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 7/20 0.68
▸ MAPT P10636 6/20 0.68
▸ HTT P42858 5/20 0.68
▸ ALDH1A1 P00352 4/20 0.68
▸ LMNA P02545 7/20 0.63
▸ ATM Q13315 2/20 0.58
▸ HPGD P15428 2/20 0.56
▸ NPSR1 Q6W5P4 2/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ PARP1 P09874 2/20 0.52
▸ TDP1 Q9NUW8 1/20 0.49
▸ GAA P10253 2/20 0.49
▸ POLB P06746 1/20 0.47

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
SCHEMBL6324067 0.97 MAPT (0.72) TSHRMAPTHTTALDH1A1LMNA
SCHEMBL6334598 0.92 LMNA (0.62) TSHRMAPTHTTALDH1A1LMNA
SCHEMBL6327914 0.91 MAPT (0.56) TSHRMAPTHTTALDH1A1LMNA
SCHEMBL6324019 0.88 MAPT (0.59) TSHRMAPTHTTALDH1A1LMNA
SCHEMBL6326044 0.86 MAPT (0.56) TSHRMAPTHTTALDH1A1LMNA
SCHEMBL6332641 0.82 PARP1 (0.47) TSHRMAPTHTTALDH1A1LMNA
SCHEMBL6331273 0.80 MAPT (0.48) TSHRMAPTHTTALDH1A1LMNA
SCHEMBL6328013 0.78 TSHR (0.57) TSHRMAPTHTTALDH1A1LMNA
SCHEMBL6324750 0.78 TSHR (0.57) TSHRMAPTHTTALDH1A1LMNA
SCHEMBL6325218 0.75 MAPT (0.53) TSHRMAPTHTTALDH1A1LMNA

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