SCHEMBL11522677

SCHEMBL11522677

COCC(=O)Nc1c(I)c(C(=O)O)c(I)c(C(=O)NCCO)c1I

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.52
TSHR P16473 3/20 0.35
MAPK1 P28482 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
HPGD P15428 3/20 0.33
CYP2C19 P33261 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
MAPT P10636 1/20 0.33
ALOX12 P18054 1/20 0.33
HTT P42858 1/20 0.33
ALDH1A1 P00352 2/20 0.32
RECQL P46063 1/20 0.32
KDM4E B2RXH2 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL11520893 0.93 LMNA (0.50) LMNATSHRMAPK1SMN1; SMN2HPGD
SCHEMBL4311751 0.86 LMNA (0.47) LMNATSHRMAPK1SMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL1020768 0.85 LMNA (0.46) LMNATSHRMAPK1SMN1; SMN2HPGD
SCHEMBL11412072 0.84 LMNA (0.41) LMNATSHRMAPK1SMN1; SMN2
SCHEMBL11406813 0.84 LMNA (0.47) LMNATSHRMAPK1SMN1; SMN2HPGD
SCHEMBL8610004 0.84 LMNA (0.40) LMNATSHRMAPK1SMN1; SMN2ALDH1A1
SCHEMBL11593788 0.84 LMNA (0.48) LMNATSHRMAPK1SMN1; SMN2HPGD
SCHEMBL11695859 0.84 LMNA (0.48) LMNATSHRMAPK1SMN1; SMN2HPGD
SCHEMBL8857302 0.83 LMNA (0.74) LMNATSHRMAPK1SMN1; SMN2HPGD
SCHEMBL29557408 0.83 LMNA (0.74) LMNATSHRMAPK1SMN1; SMN2HPGD

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-4132731-A X-RAY CONTRAST AGENT SCHERING AKTIENGESELLSCHAFT (DE) 1979-01-02 US claimed
US-4132731-A X-RAY CONTRAST AGENT SCHERING AKTIENGESELLSCHAFT (DE) 1979-01-02 US disclosed