SCHEMBL9407259

SCHEMBL9407259

CC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C(=O)OCCCCC(=O)O)c1I

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.37
HPGD P15428 2/20 0.36
RECQL P46063 1/20 0.36
ADRA1A P35348 1/20 0.35
TSHR P16473 2/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
EPHX2 P34913 2/20 0.33
PPARA Q07869 1/20 0.33
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32
PTPRB P23467 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ESR1 P03372 1/20 0.31
DPP4 P27487 1/20 0.31

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
SCHEMBL7776203 0.99 LMNA (0.44) LMNASMN1; SMN2ALDH1A1HPGDRECQL
SCHEMBL9413642 0.99 LMNA (0.44) LMNASMN1; SMN2ALDH1A1HPGDRECQL
SCHEMBL9413638 0.99 LMNA (0.44) LMNASMN1; SMN2ALDH1A1HPGDRECQL
SCHEMBL11859680 0.84 LMNA (0.46) LMNASMN1; SMN2ALDH1A1HPGDRECQL
SCHEMBL6362210 0.84 LMNA (0.41) LMNAALDH1A1HPGDRECQLTSHR
SCHEMBL8780022 0.84 LMNA (0.41) LMNAALDH1A1HPGDRECQLTSHR
SCHEMBL12845801 0.84 HPGD (0.51) LMNASMN1; SMN2ALDH1A1HPGDRECQL
SCHEMBL9414494 0.83 DGKA (0.41) LMNAALDH1A1HPGDRECQLEPHX2
SCHEMBL6270981 0.82 LMNA (0.44) LMNASMN1; SMN2ALDH1A1HPGDRECQL
SCHEMBL9414491 0.81 LMNA (0.43) LMNASMN1; SMN2ALDH1A1HPGDRECQL

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-0603917-A1 Iodinated agents and X-ray imaging compositions containing them NanoSystems L.L.C. (US) 1994-06-29 EP claimed
JP-6211764-A None JP disclosed
US-5346688-A Medical x-ray diagnostic imaging STERLING WINTHROP INC. (US) 1994-09-13 US disclosed
JP-H06211764-A IODINATED AROMATIC COMPOUND USEFUL AS WETTING AGENT, AND X-RAY IMAGING COMPOSITION CONTAINING THE COMPOUND STERLING WINTHROP INC 1994-08-02 JP disclosed
EP-0603917-A1 Iodinated agents and X-ray imaging compositions containing them NanoSystems L.L.C. (US) 1994-06-29 EP disclosed