SCHEMBL7364945

SCHEMBL7364945

O=C(COc1cccc(F)c1)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.64
MEN1 O00255 5/20 0.64
ALDH1A1 P00352 3/20 0.64
HPGD P15428 1/20 0.64
PTPN7 P35236 1/20 0.62
PTPN12 Q05209 1/20 0.62
PTPN22 Q9Y2R2 1/20 0.62
ENPP2 Q13822 2/20 0.59
MAPT P10636 3/20 0.50
BCL9 O00512 1/20 0.50
CTNNB1 P35222 1/20 0.50
GAA P10253 1/20 0.50
PTGS2 P35354 1/20 0.47
LMNA P02545 3/20 0.46
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL7359904 0.86 GAA (0.69) KMT2AMEN1ALDH1A1PTPN7PTPN12
SCHEMBL7360665 0.85 PTPN7 (0.69) KMT2AMEN1ALDH1A1PTPN7PTPN12
SCHEMBL27542011 0.84 PTPN7 (0.67) KMT2AMEN1ALDH1A1PTPN7PTPN12
SCHEMBL11605368 0.83 PTPN7 (0.69) KMT2AMEN1ALDH1A1PTPN7PTPN12
SCHEMBL7361663 0.78 PTPN7 (0.60) KMT2AMEN1ALDH1A1PTPN7PTPN12
SCHEMBL8832017 0.77 GAA (0.66) KMT2AMEN1ALDH1A1PTPN7PTPN12
SCHEMBL4346705 0.77 MAPT (0.65) KMT2AMEN1ALDH1A1ENPP2MAPT
SCHEMBL7357068 0.76 PTPN7 (0.72) KMT2AMEN1ALDH1A1PTPN7PTPN12
SCHEMBL8832495 0.76 PTPN7 (0.57) KMT2AMEN1ALDH1A1PTPN7PTPN12
SCHEMBL4373059 0.76 HSPB1 (0.69) KMT2AMEN1ALDH1A1ENPP2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0413750-A1 RENIN INHIBITORY PEPTIDES CONTAINING A SUBSTITUTED PHENOXYACETYLE GROUP THE UPJOHN COMPANY (US) 1991-02-27 EP disclosed
WO-1989010920-A1 RENIN INHIBITORY PEPTIDES CONTAINING A SUBSTITUTED PHENOXYACETYLE GROUP THE UPJOHN COMPANY (US) 1989-11-16 WO disclosed