SCHEMBL8350979

SCHEMBL8350979

CCn1c(=O)[nH]c(N)c(NCc2ccc(OC)cc2)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
LMNA P02545 2/20 0.44
TP53 P04637 2/20 0.44
ALDH1A1 P00352 3/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPSR1 Q6W5P4 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
CA7 P43166 1/20 0.42
CA13 Q8N1Q1 1/20 0.42
KDM4E B2RXH2 4/20 0.41
MAPT P10636 3/20 0.41

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
SCHEMBL8350976 0.83 LMNA (0.42) MEN1KMT2ALMNATP53ALDH1A1
SCHEMBL7434388 0.74 KDM4E (0.67) MEN1KMT2AALDH1A1GLAGAA
SCHEMBL6093649 0.73 KDM4E (0.80) MEN1KMT2ALMNAALDH1A1GLA
SCHEMBL4406872 0.71 ALDH1A1 (0.53) MEN1KMT2ATP53ALDH1A1GLA
SCHEMBL16028787 0.69 ALDH1A1 (0.43) MEN1KMT2ALMNAALDH1A1GLA
SCHEMBL24304750 0.68 PKM (0.44) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL22111515 0.68 KDM4E (0.78) MEN1KMT2ALMNAALDH1A1GLA
SCHEMBL20105594 0.68 KDM4E (0.64) MEN1KMT2ALMNAALDH1A1GLA
SCHEMBL2984842 0.67 CNOT7 (0.54) MEN1KMT2ALMNATP53ALDH1A1
SCHEMBL16298385 0.66 ALDH1A1 (0.47) MEN1KMT2AALDH1A1GLAGAA

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-2003101992-A1 PROCESS FOR PREPARING XANTHINE PHOSPHODIESTERASE V INHIBITORS AND PRECURSORS THEREOF SCHERING CORPORATION (US) 2003-12-11 WO disclosed