SCHEMBL7397257

SCHEMBL7397257

COc1ccc(CCNc2ccc([N+](=O)[O-])cc2)cc1OC1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.56
MAPT P10636 4/20 0.56
MEN1 O00255 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
ALDH1A1 P00352 4/20 0.48
LMNA P02545 2/20 0.48
POLB P06746 3/20 0.48
MAPK1 P28482 2/20 0.48
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
KCNH2 Q12809 1/20 0.48
PDE4B Q07343 1/20 0.47
CYP19A1 P11511 2/20 0.47
PTGES O14684 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
PTGS1 P23219 1/20 0.46

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
SCHEMBL7397484 0.84 PDE4A (0.54) KMT2AMEN1LMNAPOLBKDM4E
SCHEMBL9272449 0.83 ALDH1A1 (0.57) KMT2AMAPTMEN1SMN1; SMN2ALDH1A1
SCHEMBL9272958 0.82 HDAC1 (0.56) KMT2AMAPTMEN1SMN1; SMN2ALDH1A1
SCHEMBL7367293 0.82 EPHX2 (0.55) KMT2AMAPTMEN1SMN1; SMN2ALDH1A1
SCHEMBL1157335 0.79 CYP19A1 (0.61) KMT2AMAPTMEN1SMN1; SMN2ALDH1A1
SCHEMBL7365073 0.79 MEN1 (0.60) KMT2AMAPTMEN1SMN1; SMN2ALDH1A1
SCHEMBL16056331 0.79 KMT2A (0.53) KMT2AMAPTMEN1SMN1; SMN2ALDH1A1
SCHEMBL7363656 0.79 KCNH2 (0.47) KMT2AMAPTMEN1SMN1; SMN2ALDH1A1
SCHEMBL5704500 0.78 CYP19A1 (0.62) KMT2AMAPTMEN1SMN1; SMN2ALDH1A1
SCHEMBL5822951 0.77 PDE4A (0.63) KMT2AMAPTMEN1SMN1; SMN2ALDH1A1

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