Sugi Predict

Sugi Predict / Compounds / SCHEMBL8415016

SCHEMBL8415016

SCHEMBL8415016

CC(=O)OCC(=O)Nc1c(I)c(CCC(=O)OC(=O)CCc2c(I)c(N)c(I)c(N)c2I)c(I)c(NC(=O)COC(C)=O)c1I

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.36
▸ ALDH1A1 P00352 3/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ HPGD P15428 2/20 0.32
▸ USP2 O75604 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ PKM P14618 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
SCHEMBL8415013 0.89 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1HSD17B10HPGDUSP2
SCHEMBL7594233 0.81 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1HSD17B10HPGDUSP2
SCHEMBL8415132 0.74 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1HSD17B10HPGDUSP2
SCHEMBL7595206 0.69 LMNA (0.33) ALDH1A1NPC1RAB9A
SCHEMBL7591398 0.69 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1HSD17B10HPGDUSP2
SCHEMBL8342120 0.69 LMNA (0.47) SMN1; SMN2ALDH1A1HSD17B10HPGDUSP2
SCHEMBL8416636 0.68 SMN1; SMN2 (0.32) SMN1; SMN2ALDH1A1HSD17B10HPGDUSP2
SCHEMBL7595517 0.68 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1HSD17B10RAB9A
SCHEMBL8415177 0.67 TDP1 (0.31) —
SCHEMBL7591976 0.67 SMN1; SMN2 (0.32) SMN1; SMN2ALDH1A1HSD17B10HPGDUSP2

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
EP-0782564-B1 IODINATED X-RAY CONTRAST MEDIA NYCOMED IMAGING AS (NO) 1999-09-01 — — EP disclosed