SCHEMBL7589247

SCHEMBL7589247

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

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
LMNA P02545 2/20 0.34

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
SCHEMBL7595680 0.91 CYP2C19 (0.38) CYP2C19HIF1ALMNA
SCHEMBL7594419 0.83 LMNA (0.31) CYP2C19HIF1ALMNA
SCHEMBL7591094 0.81 LMNA (0.32) LMNA
SCHEMBL7590516 0.80 LMNA (0.39) LMNA
SCHEMBL7595662 0.76 LMNA (0.43) CYP2C19HIF1ALMNA
SCHEMBL7591003 0.75
SCHEMBL7589733 0.70 LMNA (0.38) LMNA
SCHEMBL10591568 0.69 CYP2C19 (0.59) CYP2C19HIF1ALMNA
SCHEMBL7589285 0.68 LMNA (0.41) LMNA
SCHEMBL7593927 0.68 CYP2C19 (0.39) CYP2C19HIF1ALMNA

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 3 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
US-5993780-A A POLYIODOARYLALKYL ALCOHOL OR DERIVATIVE NYCOMED IMAGING AS (NO) 1999-11-30 US disclosed