SCHEMBL9872808

SCHEMBL9872808

CCCN(CCC)C(=O)C(C)Nc1c(C(=O)OCC)cnc2nc(Cl)ccc12

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
GAA P10253 3/20 0.40
KDM4E B2RXH2 2/20 0.40
POLB P06746 3/20 0.40
RAD52 P43351 2/20 0.40
MAPT P10636 7/20 0.39
UHRF1 Q96T88 1/20 0.39
TP53 P04637 3/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
THRB P10828 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
PKM P14618 1/20 0.36
PDE4B Q07343 2/20 0.36
PDE5A O76074 1/20 0.36

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
SCHEMBL9875116 0.85 GAA (0.44) KMT2AMEN1GAAKDM4EMAPT
SCHEMBL9874892 0.83 GAA (0.53) KMT2AMEN1GAAKDM4EMAPT
SCHEMBL9875153 0.77 PDE5A (0.53) KMT2AMEN1GAAKDM4EMAPT
SCHEMBL9875486 0.74 KMT2A (0.60) KMT2AMEN1KDM4EPOLBMAPT
SCHEMBL9874630 0.73 KMT2A (0.50) KMT2AMEN1GAAKDM4EPOLB
SCHEMBL9874772 0.73 GAA (0.44) KMT2AMEN1GAAKDM4EMAPT
SCHEMBL9874344 0.72 GAA (0.46) KMT2AMEN1GAAKDM4EPOLB
SCHEMBL9382784 0.69 KDM4E (0.39) KMT2AMEN1GAAKDM4EMAPT
SCHEMBL9875344 0.68 ATM (0.52) KMT2AMEN1GAAKDM4EMAPT
SCHEMBL9875559 0.67 KMT2A (0.43) KMT2AMEN1GAAKDM4EPOLB

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-5026711-A Prevention and treatment of cardiovascular disorders and infections states; anxiolytic and anti-allergic agents SANOFI (FR) 1991-06-25 US disclosed