SCHEMBL7360665

SCHEMBL7360665

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

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 1/20 0.69
PTPN12 Q05209 1/20 0.69
PTPN22 Q9Y2R2 1/20 0.69
ENPP2 Q13822 3/20 0.59
NPC1 O15118 1/20 0.55
F2 P00734 1/20 0.55
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
KMT2A Q03164 3/20 0.52
BCL9 O00512 1/20 0.50
CTNNB1 P35222 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
FAAH O00519 1/20 0.49
MEN1 O00255 2/20 0.49
PTGS2 P35354 1/20 0.47
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
WDR5 P61964 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
SCHEMBL7359904 0.86 GAA (0.69) PTPN7PTPN12PTPN22KMT2ABCL9
SCHEMBL7364945 0.85 KMT2A (0.64) PTPN7PTPN12PTPN22ENPP2SMN1; SMN2
SCHEMBL27542011 0.84 PTPN7 (0.67) PTPN7PTPN12PTPN22NPC1RAB9A
SCHEMBL11605368 0.83 PTPN7 (0.69) PTPN7PTPN12PTPN22SMN1; SMN2KMT2A
SCHEMBL9363100 0.82 PTPN7 (0.64) PTPN7PTPN12PTPN22ENPP2NPC1
SCHEMBL7359954 0.78 PTPN7 (0.74) PTPN7PTPN12PTPN22SMN1; SMN2KMT2A
SCHEMBL8832017 0.77 GAA (0.66) PTPN7PTPN12PTPN22KMT2ABCL9
SCHEMBL7357068 0.76 PTPN7 (0.72) PTPN7PTPN12PTPN22NPC1RAB9A
SCHEMBL11157408 0.76 ALDH1A1 (0.67) ENPP2NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL6865567 0.76 MAPT (0.59) PTPN7PTPN12PTPN22RAB9AKMT2A

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