SCHEMBL6983971

SCHEMBL6983971

O=C(O)C(F)(F)Oc1cccc([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
TP53 P04637 2/20 0.49
MAPT P10636 1/20 0.49
CASP3 P42574 1/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
F2 P00734 1/20 0.48
TSHR P16473 4/20 0.47
LMNA P02545 1/20 0.47
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
ALDH1A1 P00352 5/20 0.45
ALOX15 P16050 1/20 0.45
KDM4E B2RXH2 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
LPAR3 Q9UBY5 1/20 0.43
ALOX5 P09917 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
SCHEMBL1130974 0.82 KMT2A (0.58) MEN1KMT2ATP53MAPTCASP3
SCHEMBL29469269 0.82 KMT2A (0.58) MEN1KMT2ATP53MAPTCASP3
SCHEMBL14931865 0.82 PPARA (0.49) MEN1KMT2ATP53MAPTF2
SCHEMBL7248836 0.81 FBP1 (0.49) MEN1KMT2ATP53MAPTCASP3
SCHEMBL17186882 0.81 MEN1 (0.47) MEN1KMT2ATP53MAPTCASP3
SCHEMBL10909455 0.80 TSHR (0.52) MEN1KMT2ATP53MAPTCASP3
SCHEMBL15228420 0.80 TSHR (0.52) MEN1KMT2ATP53MAPTCASP3
SCHEMBL9190260 0.78 TSHR (0.50) MEN1KMT2ATP53MAPTCASP3
SCHEMBL7937746 0.78 F2 (0.60) MEN1KMT2ATP53MAPTHTT
SCHEMBL8950078 0.77 CHRNB2 (0.46) MEN1KMT2ATP53F2TSHR

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-1292585-A1 BENZOXAZEPINONES AND THEIR USE AS SQUALENE SYNTHASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2003-03-19 EP disclosed
WO-2001098282-A1 BENZOXAZEPINONES AND THEIR USE AS SQUALENE SYNTHASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD (JP) 2001-12-27 WO disclosed