SCHEMBL9009050

SCHEMBL9009050

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

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.56
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL9009253 0.92 LMNA (0.65) LMNACYP2C19HIF1ASMN1; SMN2
SCHEMBL9009175 0.91 LMNA (0.54) LMNACYP2C19HIF1A
SCHEMBL9009035 0.89 LMNA (0.56) LMNACYP2C19HIF1A
SCHEMBL9009257 0.87 LMNA (0.63) LMNACYP2C19HIF1ASMN1; SMN2
SCHEMBL9009330 0.87 LMNA (0.63) LMNACYP2C19HIF1ASMN1; SMN2
SCHEMBL9009340 0.82 LMNA (0.55) LMNACYP2C19HIF1A
SCHEMBL12885813 0.81 LMNA (0.80) LMNACYP2C19HIF1ASMN1; SMN2
SCHEMBL9009272 0.81 LMNA (0.52) LMNACYP2C19HIF1A
SCHEMBL9009295 0.81 LMNA (0.60) LMNACYP2C19HIF1A
SCHEMBL9009226 0.81 LMNA (0.60) LMNACYP2C19HIF1A

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