SCHEMBL9009330

SCHEMBL9009330

COCC(=O)Nc1c(I)c(C(=O)NCC(=O)Nc2c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c2I)c(I)c(C(=O)NC(CO)C(O)CO)c1I

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.63
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL9009257 1.00 LMNA (0.63) LMNACYP2C19HIF1ASMN1; SMN2
SCHEMBL9009240 0.94 LMNA (0.53) LMNACYP2C19HIF1ASMN1; SMN2
SCHEMBL9009226 0.90 LMNA (0.60) LMNACYP2C19HIF1A
SCHEMBL9009059 0.89 LMNA (0.48) LMNACYP2C19HIF1ASMN1; SMN2
SCHEMBL9009290 0.87 LMNA (0.73) LMNACYP2C19HIF1A
SCHEMBL9009050 0.87 LMNA (0.56) LMNACYP2C19HIF1ASMN1; SMN2
SCHEMBL12885813 0.87 LMNA (0.80) LMNACYP2C19HIF1ASMN1; SMN2
SCHEMBL9009286 0.86 LMNA (0.46) LMNACYP2C19HIF1ASMN1; SMN2
SCHEMBL9009038 0.85 LMNA (0.53) LMNACYP2C19HIF1ASMN1; SMN2
SCHEMBL9009175 0.84 LMNA (0.54) 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