SCHEMBL7589084

SCHEMBL7589084

O=C(CO)Nc1c(I)c(CO)c(I)c(C(=O)N(CC(O)CO)CC(O)CO)c1I

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.43
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 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
SCHEMBL7592553 0.88 LMNA (0.57) LMNACYP2C19HIF1A
SCHEMBL5162293 0.86 LMNA (0.47) LMNACYP2C19HIF1A
SCHEMBL7590181 0.85 LMNA (0.49) LMNACYP2C19HIF1A
SCHEMBL7594716 0.83 LMNA (0.37) LMNACYP2C19HIF1A
SCHEMBL10318442 0.83 LMNA (0.44) LMNACYP2C19HIF1A
SCHEMBL13247559 0.83 LMNA (0.60) LMNACYP2C19HIF1A
SCHEMBL12957694 0.83 LMNA (0.42) LMNACYP2C19HIF1A
SCHEMBL7590959 0.83 LMNA (0.34) LMNA
SCHEMBL10455518 0.82 LMNA (0.61) LMNACYP2C19HIF1A
SCHEMBL3752378 0.81 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
US-6448442-B1 X-RAY CONTRAST AGENTS; LOW VISCOSITY IODINATED ARYL COMPOUNDS AMERSHAM HEALTH AS (NO) 2002-09-10 US disclosed
US-6310243-B1 BENZENE COMPOUNDS IN WHICH 3 NON-ADJACENT RING ATOMS ARE SUBSTITUTED WITH IODINE, 2 OF THE REMAINING RING ATOMS ARE AMIDE SUBSTITUTED WITH HYDROXY AND THE OTHER REMAINING RING ATOM IS A NON-AMIDE, HYDROXY-SUBSTITUTED NONIONIC MOIETY NYCOMED IMAGING AS (NO) 2001-10-30 US disclosed