SCHEMBL8528596

SCHEMBL8528596

Cc1c(I)cc([N+](=O)[O-])cc1I

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.68
LMNA P02545 2/20 0.68
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
TSHR P16473 5/20 0.56
CYP19A1 P11511 1/20 0.48
XDH P47989 1/20 0.47
ALDH1A1 P00352 5/20 0.45
TDP1 Q9NUW8 2/20 0.45
ACHE P22303 2/20 0.44
HSD17B10 Q99714 1/20 0.44
GPR35 Q9HC97 1/20 0.44
CYP3A4 P08684 2/20 0.42
POLB P06746 1/20 0.42
GALR3 O60755 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
VCAM1 P19320 1/20 0.40

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
SCHEMBL2434367 0.89 HTT (0.61) HTTLMNAMEN1KMT2ATSHR
SCHEMBL26132612 0.86 KMT2A (0.57) HTTLMNAMEN1KMT2ATSHR
SCHEMBL22187605 0.86 MEN1 (0.57) HTTLMNAMEN1KMT2ATSHR
SCHEMBL30004340 0.81 KMT2A (0.56) HTTLMNAMEN1KMT2ATSHR
SCHEMBL3945043 0.81 KMT2A (0.56) HTTLMNAMEN1KMT2ATSHR
SCHEMBL205059 0.81 MEN1 (1.00) HTTLMNAMEN1KMT2ATSHR
SCHEMBL8018399 0.80 LMNA (0.67) HTTLMNAMEN1KMT2ATSHR
SCHEMBL12095462 0.79 MEN1 (0.95) HTTLMNAMEN1KMT2ATSHR
SCHEMBL12933087 0.79 MEN1 (0.84) HTTLMNAMEN1KMT2ATSHR
SCHEMBL3945186 0.77 MEN1 (0.51) HTTLMNAMEN1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0675105-B1 Polyiodinated compounds, process for their preparation and diagnostic composition GUERBET SA (FR) 1998-12-23 EP claimed
EP-0675105-A1 Polyiodinated compounds, process for their preparation and diagnostic composition GUERBET S.A. (FR) 1995-10-04 EP claimed
EP-0675105-B1 Polyiodinated compounds, process for their preparation and diagnostic composition GUERBET SA (FR) 1998-12-23 EP disclosed
US-5693311-A Polyiodinated compounds, process for preparing them and diagnostic compositions GUERBET S.A. (FR) 1997-12-02 US disclosed
EP-0675105-A1 Polyiodinated compounds, process for their preparation and diagnostic composition GUERBET S.A. (FR) 1995-10-04 EP disclosed