SCHEMBL6226038

SCHEMBL6226038

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

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
PDE4A P27815 1/20 0.32
ADRA1A P35348 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 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
SCHEMBL9787614 0.85 LMNA (0.41) LMNA
SCHEMBL7588474 0.84 LMNA (0.34) LMNA
SCHEMBL9787561 0.82 LMNA (0.37) LMNA
SCHEMBL621486 0.80 TPMT (0.33) LMNACYP1A2
SCHEMBL377437 0.80 TPMT (0.33) LMNACYP1A2
SCHEMBL6397169 0.78 KDM4E (0.32) LMNACYP1A2
Hydrochloric Acid SCHEMBL620189 0.78 KDM4E (0.32) LMNACYP1A2
SCHEMBL6389935 0.78 KDM4E (0.32) LMNACYP1A2
Hydrochloric Acid SCHEMBL28391599 0.78 KDM4E (0.32) LMNACYP1A2
SCHEMBL11220028 0.78 KDM4E (0.30)

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1175392-B1 CONTRAST MEDIA AMERSHAM HEALTH AS (NO) 2005-06-22 EP disclosed
US-6448442-B1 X-RAY CONTRAST AGENTS; LOW VISCOSITY IODINATED ARYL COMPOUNDS AMERSHAM HEALTH AS (NO) 2002-09-10 US disclosed
EP-1175392-A1 CONTRAST MEDIA NYCOMED IMAGING AS (NO) 2002-01-30 EP 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
WO-2000066544-A1 CONTRAST MEDIA NYCOMED IMAGING AS (NO) 2000-11-09 WO disclosed
US-5993780-A A POLYIODOARYLALKYL ALCOHOL OR DERIVATIVE NYCOMED IMAGING AS (NO) 1999-11-30 US disclosed
US-5047228-A X-ray contrast; medical diagnosis SCHERING AKTIENGESELLSCHAFT (DE) 1991-09-10 US disclosed
US-4225577-A Ionic polyiodo benzene derivatives useful as X-ray contrast media GUERBET S.A. (FR) 1980-09-30 US disclosed