SCHEMBL11522720

SCHEMBL11522720

CC(=O)Nc1c(I)c(C(=O)O)c(I)c(C(=O)NCCCO)c1I

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.55
SMN1; SMN2 Q16637 3/20 0.47
HTT P42858 3/20 0.37
BRD4 O60885 1/20 0.37
KDM4E B2RXH2 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAP2K1 Q02750 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
POLB P06746 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
SCHEMBL9395608 0.94 LMNA (0.46) LMNASMN1; SMN2HTTBRD4KDM4E
Ioxitalamic Acid SCHEMBL455411 0.92 LMNA (0.57) LMNASMN1; SMN2BRD4KDM4ETSHR
Ioxitalamic Acid SCHEMBL29815239 0.92 LMNA (0.57) LMNASMN1; SMN2BRD4KDM4ETSHR
SCHEMBL12957879 0.83 LMNA (0.52) LMNASMN1; SMN2HTTBRD4MAP2K1
SCHEMBL11520893 0.83 LMNA (0.50) LMNASMN1; SMN2HTTKDM4ETSHR
SCHEMBL11775063 0.83 LMNA (0.51) LMNASMN1; SMN2TSHRMAPK1CYP2C19
SCHEMBL9659222 0.82 LMNA (0.60) LMNASMN1; SMN2BRD4TSHRMAPK1
SCHEMBL30881050 0.82 LMNA (0.60) LMNASMN1; SMN2BRD4TSHRMAPK1
SCHEMBL11700573 0.81 LMNA (0.58) LMNASMN1; SMN2TSHRMAPK1KMT2A
SCHEMBL11694130 0.81 LMNA (0.52) LMNASMN1; SMN2TSHRMAPK1POLB

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