SCHEMBL7594178

SCHEMBL7594178

CC(=O)OCC(Cc1c(I)c(N)c(I)c(N)c1I)OC(C)=O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.37
AR P10275 1/20 0.35
PRKCA P17252 2/20 0.33
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
PDE4A P27815 1/20 0.32
ADRA1A P35348 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
HIF1A Q16665 1/20 0.32
GAA P10253 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
SCHEMBL7986009 0.84 TDP1 (0.36) TDP1ARPRKCAGAA
SCHEMBL7595758 0.78 TDP1 (0.34) TDP1ARPRKCAGAA
SCHEMBL9515975 0.76 ABCB1 (0.37) TDP1ARLMNAHIF1AGAA
SCHEMBL3095651 0.75 TDP1 (0.34) TDP1ARPRKCAGAA
SCHEMBL7595750 0.75 TDP1 (0.32) TDP1ARPRKCALMNA
SCHEMBL7589652 0.75 TDP1 (0.32) TDP1AR
SCHEMBL7589643 0.75 SMN1; SMN2 (0.38) TDP1ARLMNA
SCHEMBL7986029 0.74 LMNA (0.35) TDP1LMNAHIF1A
SCHEMBL7590263 0.74 TDP1 (0.31) TDP1ARLMNA
SCHEMBL7587993 0.73 ABCB1 (0.34) TDP1LMNAHIF1A

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