SCHEMBL8930591

SCHEMBL8930591

Nc1ccc(CC(=O)NN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 5/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ GLS O94925 2/20 0.38
▸ S1PR1 P21453 1/20 0.38
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA7 P43166 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ PPID Q08752 1/20 0.36

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
SCHEMBL8930758 0.82 SIGMAR1 (0.51) SIGMAR1SMN1; SMN2ALDH1A1MEN1KMT2A
Tetraxetan SCHEMBL861961 0.80 SLC6A9 (0.49) SIGMAR1SMN1; SMN2ALDH1A1GAAS1PR1
SCHEMBL18872669 0.77 LMNA (0.59) SIGMAR1ALDH1A1
SCHEMBL16656260 0.77 LMNA (0.59) SIGMAR1ALDH1A1
SCHEMBL8655258 0.77 LMNA (0.59) SIGMAR1ALDH1A1
SCHEMBL6550220 0.75 SIGMAR1 (0.60) SIGMAR1SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL8722960 0.75 GPR119 (0.37) SIGMAR1SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL15709382 0.74 SIGMAR1 (0.43) SIGMAR1ALDH1A1KMT2APPID
SCHEMBL15499796 0.74 NPC1 (0.56) SMN1; SMN2ALDH1A1GAAMEN1KMT2A
SCHEMBL15047602 0.73 SIGMAR1 (0.42) SIGMAR1SMN1; SMN2ALDH1A1GAAL3MBTL1

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
WO-1997014443-A1 MAGNETICALLY LABELED CHEMOATTRACTANTS AS TARGETED CONTRAST AGENTS IN THE NMR IMAGING OF LIVING TISSUES BRACCO INTERNATIONAL B.V. (NL) 1997-04-24 — — WO disclosed
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