SCHEMBL9548340

SCHEMBL9548340

CC(=O)OCC(=O)Nc1c(I)c([C]=O)c(I)c([C]=O)c1I

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 6/20 0.41
HPGD P15428 2/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PKM P14618 1/20 0.40
USP2 O75604 1/20 0.38
HSD17B10 Q99714 1/20 0.38
FAAH O00519 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.33
CDK8 P49336 1/20 0.32
LMNA P02545 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
SCHEMBL9658761 0.84 HPGD (0.42) ALDH1A1SMN1; SMN2HPGDMAPTNPC1
SCHEMBL8342120 0.76 LMNA (0.47) ALDH1A1SMN1; SMN2HPGDMAPTNPC1
SCHEMBL22645203 0.76 LMNA (0.47) ALDH1A1SMN1; SMN2HPGDMAPTNPC1
SCHEMBL7591398 0.76 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2HPGDMAPTNPC1
SCHEMBL11778450 0.76 LMNA (0.48) ALDH1A1SMN1; SMN2HPGDMAPTNPC1
Hydrochloric Acid SCHEMBL11285322 0.75 LMNA (0.46) ALDH1A1SMN1; SMN2HPGDMAPTNPC1
SCHEMBL708587 0.75 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2HPGDMAPTNPC1
SCHEMBL20471861 0.75 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2HPGDMAPTNPC1
SCHEMBL7595426 0.73 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2HPGDMAPTNPC1
SCHEMBL9816383 0.72 LMNA (0.53) ALDH1A1SMN1; SMN2HPGDRAB9APKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993010825-A1 NONIONIC X-RAY CONTRAST AGENTS, COMPOSITIONS AND METHODS MALLINCKRODT MEDICAL, INC. (US) 1993-06-10 WO disclosed
EP-0504266-A1 NONIONIC X-RAY CONTRAST AGENTS, COMPOSITIONS AND METHODS MALLINCKRODT, INC. (US) 1992-09-23 EP disclosed
WO-1991009007-A2 NONIONIC X-RAY CONTRAST AGENTS, COMPOSITIONS AND METHODS MALLINCKRODT, INC. (US) 1991-06-27 WO disclosed