SCHEMBL13882575

SCHEMBL13882575

Cc1c(NC(=O)C(O)C(O)CO)c(I)c(C(=O)N(C)CC(O)CO)c(I)c1C(=O)NCCCNC(=O)c1c(I)c(NC(=O)C(O)C(O)CO)c(I)c(C(=O)N(C)CC(O)CO)c1I

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.54
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37

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
SCHEMBL13882596 0.96 LMNA (0.54) LMNACYP2C19HIF1A
SCHEMBL9976289 0.95 LMNA (0.58) LMNACYP2C19HIF1A
SCHEMBL3061601 0.92 LMNA (0.55) LMNACYP2C19HIF1A
SCHEMBL3062943 0.91 LMNA (0.58) LMNACYP2C19HIF1A
SCHEMBL13882531 0.91 LMNA (0.55) LMNACYP2C19HIF1A
SCHEMBL10044843 0.90 LMNA (0.55) LMNACYP2C19HIF1A
SCHEMBL13247499 0.90 LMNA (0.55) LMNACYP2C19HIF1A
SCHEMBL13882428 0.89 LMNA (0.53) LMNACYP2C19HIF1A
SCHEMBL13882449 0.89 LMNA (0.55) LMNACYP2C19HIF1A
SCHEMBL13247520 0.88 LMNA (0.53) 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
WO-2009047319-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2009-04-16 WO disclosed