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Sugi Predict / Compounds / SCHEMBL9009219

SCHEMBL9009219

SCHEMBL9009219

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

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.71
▸ CYP2C19 P33261 1/20 0.43
▸ HIF1A Q16665 1/20 0.43

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
SCHEMBL9009184 0.88 LMNA (0.93) LMNACYP2C19HIF1A
SCHEMBL9009319 0.87 LMNA (0.65) LMNACYP2C19HIF1A
SCHEMBL12885813 0.87 LMNA (0.80) LMNACYP2C19HIF1A
SCHEMBL9009298 0.85 LMNA (0.59) LMNACYP2C19HIF1A
SCHEMBL9009365 0.85 LMNA (0.59) LMNACYP2C19HIF1A
SCHEMBL9287237 0.84 LMNA (0.65) LMNACYP2C19HIF1A
SCHEMBL13885052 0.84 LMNA (0.58) LMNACYP2C19HIF1A
SCHEMBL9192161 0.83 LMNA (0.75) LMNACYP2C19HIF1A
Iopromide SCHEMBL24546 0.83 LMNA (1.00) LMNACYP2C19HIF1A
Iopromide SCHEMBL29632300 0.83 LMNA (1.00) 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