SCHEMBL8933210

SCHEMBL8933210

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

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.49
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
HPGD P15428 1/20 0.31
PTPRB P23467 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL8667841 0.82 SMN1; SMN2 (0.48) LMNASMN1; SMN2ADRB2ADRB1ADRB3
SCHEMBL6361849 0.81 LMNA (0.51) LMNASMN1; SMN2ALDH1A1TSHRHPGD
SCHEMBL332859 0.81 LMNA (0.54) LMNASMN1; SMN2ALDH1A1TSHRHPGD
SCHEMBL9016334 0.80 LMNA (0.53) LMNASMN1; SMN2ALDH1A1TSHRHPGD
SCHEMBL8230945 0.80 LMNA (0.53) LMNASMN1; SMN2ALDH1A1TSHRHPGD
SCHEMBL7775837 0.78 LMNA (0.51) LMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL9852571 0.78 LMNA (0.51) LMNASMN1; SMN2ALDH1A1TSHRHPGD
SCHEMBL8814469 0.78 LMNA (0.50) LMNASMN1; SMN2ALDH1A1TSHRHPGD
SCHEMBL9413517 0.77 LMNA (0.41) LMNASMN1; SMN2ADRB2ADRB1ADRB3
SCHEMBL370072 0.77 LMNA (0.50) LMNASMN1; SMN2ALDH1A1TSHRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996025182-A1 PROCESS OF PREPARING X-RAY CONTRAST COMPOSITIONS CONTAINING NANOPARTICLES NANOSYSTEMS L.L.C. (US) 1996-08-22 WO disclosed