SCHEMBL21669751

SCHEMBL21669751

C=C(C)C(=O)NCCCNC(=O)CCCCCCCCCn1ccnc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 5/20 0.54
IDE P14735 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TSHR P16473 1/20 0.47
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL21669740 1.00 TBXAS1 (0.54) TBXAS1IDESMN1; SMN2L3MBTL1TSHR
SCHEMBL21669747 1.00 TBXAS1 (0.54) TBXAS1IDESMN1; SMN2L3MBTL1TSHR
SCHEMBL21669744 1.00 TBXAS1 (0.54) TBXAS1IDESMN1; SMN2L3MBTL1TSHR
SCHEMBL21669749 1.00 TBXAS1 (0.54) TBXAS1IDESMN1; SMN2L3MBTL1TSHR
SCHEMBL21669765 0.99 TBXAS1 (0.52) TBXAS1IDESMN1; SMN2L3MBTL1TSHR
SCHEMBL19198443 0.95 IDE (0.51) TBXAS1IDESMN1; SMN2L3MBTL1TSHR
SCHEMBL935331 0.87 L3MBTL1 (0.59) SMN1; SMN2L3MBTL1LMNAALDH1A1GAA
Hydrochloric Acid SCHEMBL6686022 0.86 L3MBTL1 (0.58) SMN1; SMN2L3MBTL1TSHRLMNAALDH1A1
SCHEMBL21669742 0.85 TBXAS1 (0.51) TBXAS1SMN1; SMN2L3MBTL1TSHRLMNA
SCHEMBL21669762 0.85 TBXAS1 (0.51) TBXAS1SMN1; SMN2L3MBTL1TSHRLMNA

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-3077476-B1 NANOCRYSTALS COMPLEXED WITH FUNCTIONALIZABLE ENHANCED AFFINITY LIGANDS AND USE THEREOF NEXDOT (FR) 2020-02-12 EP disclosed