SCHEMBL8743166

SCHEMBL8743166

CC1(C)OCC(CNC(=O)c2c(I)c(NC(=O)CCl)c(I)c(C(=O)NCC3COC(C)(C)O3)c2I)O1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.42
CA2 P00918 1/20 0.40
LMNA P02545 2/20 0.33
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TMEM97 Q5BJF2 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
F10 P00742 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
SCHEMBL30512887 0.89 NAMPT (0.44) NAMPTCA2LMNAALDH1A1NPSR1
SCHEMBL18850244 0.88 CA2 (0.41) NAMPTCA2LMNA
SCHEMBL3663814 0.86 NAMPT (0.41) NAMPTCA2LMNATMEM97SIGMAR1
SCHEMBL12507078 0.84 NAMPT (0.42) NAMPTCA2TMEM97SIGMAR1
SCHEMBL9979410 0.84 NAMPT (0.37) NAMPTCA2LMNA
SCHEMBL3663813 0.84 NAMPT (0.40) NAMPTCA2TMEM97SIGMAR1
SCHEMBL8743287 0.82 NAMPT (0.36) NAMPTCA2LMNA
SCHEMBL12507456 0.81 CA2 (0.48) NAMPTCA2ALDH1A1NPSR1TMEM97
SCHEMBL11713000 0.81 NAMPT (0.39) NAMPTCA2LMNAF10
SCHEMBL9232549 0.79 NAMPT (0.38) NAMPTCA2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0647618-B1 NEW NON IONIC IODINE-CONTAINING DIMERS USEFUL AS X-RAY CONTRAST AGENTS, METHOD FOR THE PREPARATION THEREOF, AND GALENICAL COMPOSITIONS CONTAINING THEM INVEST JUSTESA IMAGEN S A CENT (ES) 1997-01-02 EP disclosed