SCHEMBL7591733

SCHEMBL7591733

COC(=O)c1cc(/C=C/[Si](C)(C)C)cc([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 5/20 0.46
MEN1 O00255 7/20 0.46
KMT2A Q03164 7/20 0.46
RECQL P46063 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
RAB9A P51151 1/20 0.44
LMNA P02545 2/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
AHR P35869 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL7591738 1.00 POLB (0.46) POLBHTTSMN1; SMN2GAAMAPT
SCHEMBL8415092 0.94 POLB (0.42) POLBHTTSMN1; SMN2GAAMAPT
SCHEMBL8415090 0.94 POLB (0.42) POLBHTTSMN1; SMN2GAAMAPT
SCHEMBL5219115 0.85 POLB (0.49) POLBHTTSMN1; SMN2GAAMAPT
SCHEMBL5219109 0.85 POLB (0.49) POLBHTTSMN1; SMN2GAAMAPT
SCHEMBL5219126 0.85 POLB (0.49) POLBHTTSMN1; SMN2GAAMAPT
SCHEMBL8762480 0.85 TP53 (0.44) SMN1; SMN2MAPTMEN1KMT2ACYP3A4
SCHEMBL8762485 0.85 TP53 (0.44) SMN1; SMN2MAPTMEN1KMT2ACYP3A4
SCHEMBL16961951 0.81 HTT (0.51) POLBHTTSMN1; SMN2GAAMAPT
SCHEMBL6648792 0.81 HTT (0.51) POLBHTTSMN1; SMN2GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6448442-B1 X-RAY CONTRAST AGENTS; LOW VISCOSITY IODINATED ARYL COMPOUNDS AMERSHAM HEALTH AS (NO) 2002-09-10 US disclosed
US-6310243-B1 BENZENE COMPOUNDS IN WHICH 3 NON-ADJACENT RING ATOMS ARE SUBSTITUTED WITH IODINE, 2 OF THE REMAINING RING ATOMS ARE AMIDE SUBSTITUTED WITH HYDROXY AND THE OTHER REMAINING RING ATOM IS A NON-AMIDE, HYDROXY-SUBSTITUTED NONIONIC MOIETY NYCOMED IMAGING AS (NO) 2001-10-30 US disclosed
US-5993780-A A POLYIODOARYLALKYL ALCOHOL OR DERIVATIVE NYCOMED IMAGING AS (NO) 1999-11-30 US disclosed
EP-0782564-B1 IODINATED X-RAY CONTRAST MEDIA NYCOMED IMAGING AS (NO) 1999-09-01 EP disclosed
US-5882628-A Contrast media NYCOMED IMAGING AS (NO) 1999-03-16 US disclosed
EP-0782564-A1 IODINATED X-RAY CONTRAST MEDIA NYCOMED IMAGING AS (NO) 1997-07-09 EP disclosed
WO-1996009282-A1 IODINATED X-RAY CONTRAST MEDIA NYCOMED IMAGING A/S (NO) 1996-03-28 WO disclosed