SCHEMBL7589643

SCHEMBL7589643

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

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.38
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 1/20 0.36
HPGD P15428 2/20 0.33
USP2 O75604 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
PKM P14618 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
AR P10275 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL7595750 0.90 TDP1 (0.32) TDP1ARLMNA
SCHEMBL7596494 0.85 SMN1; SMN2 (0.31) SMN1; SMN2
SCHEMBL7592831 0.84 SMN1; SMN2 (0.30) SMN1; SMN2
SCHEMBL7590263 0.84 TDP1 (0.31) TDP1ARLMNA
SCHEMBL7596489 0.81
SCHEMBL7592825 0.80
SCHEMBL7056140 0.78 LMNA (0.46) SMN1; SMN2ALDH1A1HSD17B10HPGDUSP2
SCHEMBL8380655 0.78 LMNA (0.42) SMN1; SMN2ALDH1A1TDP1LMNA
SCHEMBL7590487 0.78 LMNA (0.40) SMN1; SMN2ALDH1A1HSD17B10LMNA
SCHEMBL7589122 0.77 LMNA (0.36) SMN1; SMN2ALDH1A1HSD17B10LMNA

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 2 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