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SCHEMBL9009035

SCHEMBL9009035

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

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.56
▸ CYP2C19 P33261 1/20 0.39
▸ HIF1A Q16665 1/20 0.39

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
SCHEMBL9009243 0.93 LMNA (0.64) LMNACYP2C19HIF1A
SCHEMBL9009071 0.92 LMNA (0.45) LMNACYP2C19HIF1A
SCHEMBL9009050 0.89 LMNA (0.56) LMNACYP2C19HIF1A
SCHEMBL9009210 0.87 LMNA (0.77) LMNACYP2C19HIF1A
SCHEMBL9009226 0.86 LMNA (0.60) LMNACYP2C19HIF1A
SCHEMBL9009398 0.84 LMNA (0.51) LMNACYP2C19HIF1A
SCHEMBL9009192 0.84 LMNA (0.62) LMNACYP2C19HIF1A
SCHEMBL9009093 0.83 LMNA (0.60) LMNACYP2C19HIF1A
SCHEMBL9009330 0.83 LMNA (0.63) LMNACYP2C19HIF1A
SCHEMBL9009257 0.83 LMNA (0.63) 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 2 patents. 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
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 disclosed