SCHEMBL8533694

SCHEMBL8533694

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

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.57
LMNA P02545 2/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
XDH P47989 1/20 0.44
CYP19A1 P11511 1/20 0.44
TSHR P16473 3/20 0.41
ALDH1A1 P00352 4/20 0.40
ERN1 O75460 2/20 0.40
POLB P06746 1/20 0.39
VCAM1 P19320 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GPR35 Q9HC97 1/20 0.37
CYP3A4 P08684 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL7310925 0.78 TSHR (0.52) HTTLMNAMEN1KMT2ACYP19A1
SCHEMBL8018399 0.77 LMNA (0.67) HTTLMNAMEN1KMT2AXDH
SCHEMBL2824579 0.76 ALDH1A1 (0.50) HTTLMNAMEN1KMT2ACYP19A1
SCHEMBL9550826 0.75 MEN1 (0.69) HTTLMNAMEN1KMT2AALDH1A1
SCHEMBL28629307 0.74 CYP19A1 (0.44) HTTLMNAMEN1KMT2ACYP19A1
SCHEMBL21068952 0.74 CYP19A1 (0.44) HTTLMNAMEN1KMT2ACYP19A1
SCHEMBL28948912 0.74 ALDH1A1 (0.52) HTTLMNAMEN1KMT2ACYP19A1
SCHEMBL8484182 0.74 ALDH1A1 (0.61) HTTMEN1KMT2ACYP19A1TSHR
SCHEMBL5773404 0.74 ERN1 (0.58) HTTLMNAMEN1KMT2AXDH
SCHEMBL8528596 0.73 HTT (0.68) HTTLMNAMEN1KMT2AXDH

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