SCHEMBL8374205

SCHEMBL8374205

O=C(Nc1cc(C(=O)NC(CO)CO)cc([N+](=O)[O-])c1)c1cc(C(=O)NC(CO)CO)cc([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.54
MEN1 O00255 7/20 0.51
KMT2A Q03164 7/20 0.51
POLB P06746 2/20 0.49
MAPT P10636 1/20 0.49
BLM P54132 1/20 0.49
CASR P41180 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
THRA P10827 1/20 0.44
ALDH1A1 P00352 2/20 0.44

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
SCHEMBL8379789 0.92 CASR (0.51) ALOX5MEN1KMT2APOLBMAPT
SCHEMBL14920940 0.90 MAPT (0.48) ALOX5MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL8374111 0.89 CASR (0.46) ALOX5MEN1KMT2AMAPTCASR
SCHEMBL14934959 0.83 SMN1; SMN2 (0.44) ALOX5MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL9167111 0.82 ALOX5 (0.75) ALOX5MEN1KMT2APOLBMAPT
SCHEMBL8377047 0.80 ALOX5 (0.50) ALOX5MEN1KMT2APOLBMAPT
SCHEMBL19311948 0.80 TSHR (0.49) ALOX5MEN1KMT2APOLBMAPT
SCHEMBL11582892 0.78 MEN1 (0.70) ALOX5MEN1KMT2APOLBMAPT
SCHEMBL8380032 0.77 POLB (0.69) ALOX5MEN1KMT2APOLBMAPT
Hydrochloric Acid SCHEMBL8374390 0.77 SNCA (0.38) MEN1KMT2APOLB

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
US-5958376-A Iodinated X-ray contrast media NYCOMED IMAGING AS (NO) 1999-09-28 US disclosed
US-5958375-A Urea-linked, iodinated bis phenyl compounds for X-ray contrast media NYCOMED IMAGING AS (NO) 1999-09-28 US disclosed
EP-0782565-B1 IODINATED X-RAY-CONTRAST MEDIA NYCOMED IMAGING AS (NO) 1999-04-07 EP disclosed
EP-0782565-A1 IODINATED X-RAY-CONTRAST MEDIA NYCOMED IMAGING AS (NO) 1997-07-09 EP disclosed
WO-1996009285-A1 IODINATED X-RAY-CONTRAST MEDIA NYCOMED IMAGING AS (NO) 1996-03-28 WO disclosed