SCHEMBL7367293

SCHEMBL7367293

COc1ccc(CC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.55
KMT2A Q03164 5/20 0.54
MEN1 O00255 4/20 0.54
MAPT P10636 4/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
HDAC1 Q13547 1/20 0.53
HDAC2 Q92769 1/20 0.53
LMNA P02545 3/20 0.52
HTT P42858 2/20 0.52
POLB P06746 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
PDE4B Q07343 1/20 0.51
ALDH1A1 P00352 2/20 0.51
BCHE P06276 2/20 0.51
ACHE P22303 2/20 0.51
PDE5A O76074 1/20 0.50
KDM4E B2RXH2 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
SCHEMBL7334095 0.82 PDE4D (0.72) KMT2AMEN1PDE4BPDE5A
SCHEMBL7397257 0.82 KMT2A (0.56) KMT2AMEN1MAPTSMN1; SMN2HDAC1
SCHEMBL8188616 0.81 PDE4D (0.63) KMT2AMEN1MAPTSMN1; SMN2LMNA
SCHEMBL7735233 0.80 PDE5A (0.60) KMT2AMEN1MAPTSMN1; SMN2LMNA
SCHEMBL8189434 0.79 MEN1 (0.67) KMT2AMEN1MAPTSMN1; SMN2POLB
SCHEMBL9272449 0.78 ALDH1A1 (0.57) KMT2AMEN1MAPTSMN1; SMN2LMNA
SCHEMBL1157335 0.78 CYP19A1 (0.61) KMT2AMEN1MAPTSMN1; SMN2LMNA
SCHEMBL16056331 0.77 KMT2A (0.53) KMT2AMEN1MAPTSMN1; SMN2HDAC1
SCHEMBL3543472 0.77 PDE4A (0.56) SMN1; SMN2PDE4B
SCHEMBL7735278 0.77 PDE4D (0.53) KMT2AMAPTSMN1; SMN2LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0538384-A4 OXAMIDES SMITHKLINE BEECHAM CORP (US) 1995-04-12 EP disclosed
US-5393788-A Phenylalkyl oxamides SMITHKLINE BEECHAM CORPORATION (US) 1995-02-28 US 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