SCHEMBL11520893

SCHEMBL11520893

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

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
RECQL P46063 1/20 0.36
MAPK1 P28482 2/20 0.36
TSHR P16473 1/20 0.36
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
HTT P42858 2/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
HPGD P15428 2/20 0.32
KDM4C Q9H3R0 1/20 0.32
CYP2C19 P33261 1/20 0.32
MAPT P10636 1/20 0.32
ALOX12 P18054 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 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
SCHEMBL11522677 0.93 LMNA (0.52) LMNARECQLMAPK1TSHRSMN1; SMN2
SCHEMBL4311751 0.84 LMNA (0.47) LMNAMAPK1TSHRSMN1; SMN2HTT
SCHEMBL11522720 0.83 LMNA (0.55) LMNAMAPK1TSHRPOLBSMN1; SMN2
Hydrochloric Acid SCHEMBL1020768 0.83 LMNA (0.46) LMNAMAPK1TSHRSMN1; SMN2HTT
SCHEMBL11406813 0.82 LMNA (0.47) LMNAMAPK1TSHRPOLBSMN1; SMN2
SCHEMBL11593788 0.81 LMNA (0.48) LMNAMAPK1TSHRPOLBSMN1; SMN2
SCHEMBL11695859 0.81 LMNA (0.48) LMNAMAPK1TSHRSMN1; SMN2HTT
SCHEMBL8857302 0.81 LMNA (0.74) LMNAMAPK1TSHRSMN1; SMN2HTT
SCHEMBL29557408 0.81 LMNA (0.74) LMNAMAPK1TSHRSMN1; SMN2HTT
SCHEMBL11521503 0.81 LMNA (0.58) LMNAMAPK1TSHRSMN1; SMN2HTT

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