SCHEMBL7363656

SCHEMBL7363656

COc1ccc(CCN(Cc2ccc([N+](=O)[O-])cc2)C(=O)C(N)=O)cc1OC1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.47
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 3/20 0.46
MEN1 O00255 1/20 0.46
PDE5A O76074 1/20 0.45
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
MAPK1 P28482 1/20 0.44
PDE4B Q07343 5/20 0.43
PDE4A P27815 3/20 0.43
PDE4C Q08493 3/20 0.43
PDE4D Q08499 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CDC25C P30307 1/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42

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
SCHEMBL9276135 0.84 HDAC1 (0.51) PDE4BPDE4APDE4CPDE4DHDAC1
SCHEMBL9276295 0.80 PDE4B (0.51) KMT2AMEN1PDE4BPDE4APDE4C
SCHEMBL9272695 0.80 PDE4B (0.50) KMT2AMEN1ALDH1A1PDE4BPDE4A
SCHEMBL7397257 0.79 KMT2A (0.56) KCNH2KMT2ASMN1; SMN2MAPTMEN1
SCHEMBL9272449 0.79 ALDH1A1 (0.57) KCNH2KMT2ASMN1; SMN2MAPTMEN1
SCHEMBL16056331 0.78 KMT2A (0.53) KCNH2KMT2ASMN1; SMN2MAPTMEN1
SCHEMBL7367293 0.77 EPHX2 (0.55) KMT2ASMN1; SMN2MAPTMEN1PDE5A
SCHEMBL7361261 0.75 PDE4B (0.42) KMT2AMEN1PDE4BPDE4APDE4C
SCHEMBL1157335 0.75 CYP19A1 (0.61) KMT2ASMN1; SMN2MAPTMEN1PDE5A
SCHEMBL9275374 0.74 KDM4E (0.53) KMT2ASMN1; SMN2MEN1ALDH1A1LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0538384-A4 OXAMIDES SMITHKLINE BEECHAM CORP (US) 1995-04-12 EP disclosed
EP-0538384-A1 OXAMIDES SMITHKLINE BEECHAM CORPORATION (US) 1993-04-28 EP disclosed
WO-1992000968-A1 OXAMIDES SMITHKLINE BEECHAM CORPORATION (US) 1992-01-23 WO disclosed