SCHEMBL6013300

SCHEMBL6013300

C=CCNC(=O)c1cc(I)c(I)c(C(N)=O)c1I

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.44
CYP1A2 P05177 2/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALOX15 P16050 1/20 0.42
RAB9A P51151 1/20 0.42
MAPT P10636 2/20 0.42
ALDH1A1 P00352 5/20 0.41
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 2/20 0.38

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
SCHEMBL2014834 0.75 TPMT (0.37) HPGDPOLBMAPTALDH1A1L3MBTL1
SCHEMBL9752266 0.75 ALOX15 (0.49) HPGDCYP1A2POLBCYP3A4CYP2C19
SCHEMBL6013194 0.74 HPGD (0.44) HPGDCYP1A2POLBCYP3A4CYP2C19
SCHEMBL9009216 0.72 TPMT (0.43) HPGDCYP1A2POLBCYP3A4CYP2C19
SCHEMBL29108670 0.71 ALOX15 (0.48) HPGDCYP1A2POLBCYP3A4CYP2C19
SCHEMBL14058695 0.71 HPGD (0.48) HPGDCYP1A2POLBCYP3A4CYP2C19
SCHEMBL14057967 0.71 HPGD (0.48) HPGDCYP1A2POLBCYP3A4CYP2C19
SCHEMBL7870127 0.70 HPGD (0.66) HPGDCYP1A2POLBCYP3A4CYP2C19
SCHEMBL461826 0.70 HPGD (0.66) HPGDCYP1A2POLBCYP3A4CYP2C19
SCHEMBL4559294 0.70 HPGD (0.66) HPGDCYP1A2POLBCYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0983227-B8 PREPARATION OF TRI-IODO BENZENE COMPOUNDS GE HEALTHCARE AS (NO) 2006-10-25 EP claimed
EP-0983227-A1 PREPARATION OF TRI-IODO BENZENE COMPOUNDS NYCOMED IMAGING AS (NO) 2000-03-08 EP claimed
WO-1998052909-A1 PREPARATION OF TRI-IODO BENZENE COMPOUNDS NYCOMED IMAGING AS (NO) 1998-11-26 WO claimed
EP-0983227-B8 PREPARATION OF TRI-IODO BENZENE COMPOUNDS GE HEALTHCARE AS (NO) 2006-10-25 EP disclosed
EP-0983227-A1 PREPARATION OF TRI-IODO BENZENE COMPOUNDS NYCOMED IMAGING AS (NO) 2000-03-08 EP disclosed
WO-1998052909-A1 PREPARATION OF TRI-IODO BENZENE COMPOUNDS NYCOMED IMAGING AS (NO) 1998-11-26 WO disclosed