SCHEMBL6328474

SCHEMBL6328474

COc1ccc(-c2noc(CCC(=O)NCCCCNc3n[nH]c(=O)c4ccccc34)n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.57
HTT P42858 2/20 0.57
TSHR P16473 5/20 0.56
HPGD P15428 4/20 0.56
MAPT P10636 4/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
LMNA P02545 5/20 0.54
ALDH1A1 P00352 4/20 0.54
TP53 P04637 1/20 0.54
KDM4E B2RXH2 1/20 0.53
POLB P06746 1/20 0.53
ATM Q13315 1/20 0.50

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
SCHEMBL6332336 0.96 GAA (0.53) GAAHTTTSHRHPGDMAPT
SCHEMBL6323563 0.95 TSHR (0.57) GAAHTTTSHRHPGDMAPT
SCHEMBL6328207 0.94 GAA (0.53) GAAHTTTSHRHPGDMAPT
SCHEMBL6323802 0.91 HPGD (0.52) GAAHTTTSHRHPGDMAPT
SCHEMBL6327228 0.91 TSHR (0.58) GAAHTTTSHRHPGDMAPT
SCHEMBL6324028 0.91 HPGD (0.59) GAAHTTTSHRHPGDMAPT
SCHEMBL6328519 0.91 TP53 (0.52) GAAHTTTSHRHPGDMAPT
SCHEMBL6326426 0.91 KMT2A (0.54) GAAHTTTSHRHPGDMAPT
SCHEMBL6333150 0.90 TP53 (0.50) GAAHTTTSHRHPGDMAPT
SCHEMBL6330865 0.90 HPGD (0.49) GAAHTTTSHRHPGDMAPT

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