SCHEMBL8892633

SCHEMBL8892633

NCCCNc1nc(NCc2ccccc2)c2ccccc2n1

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.76
KDM4E B2RXH2 1/20 0.74
ALDH1A1 P00352 1/20 0.74
LMNA P02545 1/20 0.74
MAPT P10636 1/20 0.74
PKM P14618 1/20 0.74
UBE2N P61088 1/20 0.74
KMT2A Q03164 1/20 0.74
NPSR1 Q6W5P4 1/20 0.74
RCE1 Q9Y256 1/20 0.74
APP P05067 9/20 0.71
ACHE P22303 7/20 0.71
BCHE P06276 5/20 0.71
CASP6 P55212 1/20 0.70
SLC2A1 P11166 1/20 0.57
PDE5A O76074 1/20 0.56

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
SCHEMBL11734758 0.90 CASP6 (0.62) RAD52KDM4EALDH1A1LMNAMAPT
SCHEMBL12175837 0.87 RAD52 (1.00) RAD52KDM4EALDH1A1LMNAMAPT
SCHEMBL16280667 0.86 CASP6 (0.92) RAD52KDM4EALDH1A1LMNAMAPT
SCHEMBL3636779 0.83 ACHE (1.00) RAD52KDM4EALDH1A1LMNAMAPT
SCHEMBL8544714 0.80 APP (0.72) RAD52KDM4EALDH1A1LMNAMAPT
SCHEMBL23748460 0.79 RAD52 (0.77) RAD52KDM4EALDH1A1LMNAMAPT
SCHEMBL2590671 0.79 RAD52 (0.82) RAD52KDM4EALDH1A1LMNAMAPT
SCHEMBL2590855 0.79 RAD52 (0.82) RAD52KDM4EALDH1A1LMNAMAPT
SCHEMBL2583542 0.79 RAD52 (0.82) RAD52KDM4EALDH1A1LMNAMAPT
SCHEMBL3639768 0.79 RAD52 (0.82) RAD52KDM4EALDH1A1LMNAMAPT

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
WO-1997020821-A1 HETEROARYL DERIVATIVES NOVARTIS AG (CH) 1997-06-12 WO claimed