SCHEMBL8342120

SCHEMBL8342120

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

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 7/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
USP2 O75604 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PKM P14618 1/20 0.38
FAAH O00519 1/20 0.35
GLS O94925 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
SCHEMBL22645203 0.97 LMNA (0.47) LMNASMN1; SMN2ALDH1A1HPGDNPC1
Hydrochloric Acid SCHEMBL11285322 0.95 LMNA (0.46) LMNASMN1; SMN2ALDH1A1HPGDNPC1
SCHEMBL7591398 0.87 ALDH1A1 (0.43) LMNASMN1; SMN2ALDH1A1HPGDNPC1
SCHEMBL22661232 0.85 SMN1; SMN2 (0.41) LMNASMN1; SMN2ALDH1A1HPGDNPC1
SCHEMBL7595426 0.83 ALDH1A1 (0.40) LMNASMN1; SMN2ALDH1A1HPGDNPC1
Hydrochloric Acid SCHEMBL9451386 0.83 LMNA (0.40) LMNASMN1; SMN2ALDH1A1HPGDNPC1
SCHEMBL11286324 0.83 SMN1; SMN2 (0.42) LMNASMN1; SMN2ALDH1A1HPGDNPC1
SCHEMBL708587 0.83 ALDH1A1 (0.42) LMNASMN1; SMN2ALDH1A1HPGDNPC1
SCHEMBL11879797 0.81 LMNA (0.55) LMNASMN1; SMN2ALDH1A1HPGDNPC1
SCHEMBL7532896 0.81 PKM (0.44) SMN1; SMN2ALDH1A1HPGDNPC1MAPT

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-1999003509-A2 PHARMACEUTICAL PRODUCTS CONTAINING TRIIODOAROMATS CONTAINING PERFLUOROALKYL GROUPS, AND THE USE THEREOF IN THE TREATMENT OF TUMOURS AND INTERVENTIONAL RADIOLOGY SCHERING AKTIENGESELLSCHAFT (DE) 1999-01-28 WO disclosed