SCHEMBL7361663

SCHEMBL7361663

O=C(COc1ccccc1F)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 1/20 0.60
PTPN12 Q05209 1/20 0.60
PTPN22 Q9Y2R2 1/20 0.60
KMT2A Q03164 2/20 0.59
BCL9 O00512 1/20 0.51
CTNNB1 P35222 1/20 0.51
ATM Q13315 1/20 0.50
ALDH1A1 P00352 4/20 0.47
MAPT P10636 3/20 0.47
PTGS2 P35354 1/20 0.45
HSPB1 P04792 3/20 0.45
POLB P06746 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
CYP2C19 P33261 2/20 0.44
LMNA P02545 1/20 0.44
CYP2C9 P11712 1/20 0.44
GAA P10253 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL7357774 0.84 KMT2A (0.62) PTPN7PTPN12PTPN22KMT2ABCL9
SCHEMBL7358681 0.84 KMT2A (0.62) PTPN7PTPN12PTPN22KMT2ABCL9
SCHEMBL7359954 0.84 PTPN7 (0.74) PTPN7PTPN12PTPN22KMT2ABCL9
SCHEMBL7362145 0.83 KMT2A (0.61) PTPN7PTPN12PTPN22KMT2ABCL9
SCHEMBL27542011 0.82 PTPN7 (0.67) PTPN7PTPN12PTPN22KMT2ABCL9
SCHEMBL11605368 0.81 PTPN7 (0.69) PTPN7PTPN12PTPN22KMT2ABCL9
SCHEMBL7357629 0.81 KMT2A (0.62) PTPN7PTPN12PTPN22KMT2ABCL9
SCHEMBL7364945 0.78 KMT2A (0.64) PTPN7PTPN12PTPN22KMT2ABCL9
SCHEMBL2577561 0.77 BCL9 (0.66) PTPN7PTPN12PTPN22KMT2ABCL9
SCHEMBL1283884 0.75 HSPB1 (0.71) KMT2AALDH1A1MAPTHSPB1SMN1; SMN2

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