SCHEMBL9009286

SCHEMBL9009286

O=C(CNC(=O)c1c(I)cc(I)c(C(=O)NCC(O)CO)c1I)Nc1c(I)c(C(=O)NC(CO)C(O)CO)c(I)c(C(=O)NC(CO)C(O)CO)c1I

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
MAP2K1 Q02750 5/20 0.31
MAP2K2 P36507 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PRKCZ Q05513 1/20 0.31
IARS2 Q9NSE4 1/20 0.31
EGFR P00533 1/20 0.30
SRC P12931 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
SCHEMBL9009059 0.91 LMNA (0.48) LMNACYP2C19HIF1ASMN1; SMN2
SCHEMBL9009257 0.86 LMNA (0.63) LMNACYP2C19HIF1ASMN1; SMN2
SCHEMBL9009330 0.86 LMNA (0.63) LMNACYP2C19HIF1ASMN1; SMN2
SCHEMBL9352694 0.83 LMNA (0.47) LMNACYP2C19HIF1ASMN1; SMN2
SCHEMBL9009193 0.80 LMNA (0.55) LMNACYP2C19HIF1AMAP2K1MAP2K2
SCHEMBL9009162 0.79 LMNA (0.48) LMNACYP2C19HIF1ASMN1; SMN2
SCHEMBL9009240 0.79 LMNA (0.53) LMNACYP2C19HIF1ASMN1; SMN2
SCHEMBL9009297 0.79 LMNA (0.40) LMNACYP2C19HIF1AMAP2K1MAP2K2
SCHEMBL9284452 0.79 LMNA (0.38) LMNACYP2C19HIF1ATSHRMAPK1
SCHEMBL9009065 0.78 LMNA (0.50) LMNACYP2C19HIF1ASMN1; SMN2

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-0571593-B1 NEW NON IONIC IODIZED AGENTS FOR X-RAY CONTRASTING, METHOD FOR PREPARING THEM AND GALENICAL COMPOSITIONS CONTAINING THEM INVEST JUSTESA IMAGEN S A CENT (ES) 1996-10-30 EP claimed