SCHEMBL22018531

SCHEMBL22018531

CCn1c(SCC(=O)Nc2ccc(O)c(O)c2)nnc1-c1ccsc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.59
HTT P42858 3/20 0.56
ALDH1A1 P00352 6/20 0.54
MAPT P10636 4/20 0.54
MAPK1 P28482 1/20 0.54
KMT2A Q03164 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
KDM4E B2RXH2 2/20 0.52
GAA P10253 2/20 0.52
ALPG P10696 2/20 0.52
ALOX12 P18054 2/20 0.52
RECQL P46063 1/20 0.52
ALPL P05186 1/20 0.52
POLB P06746 1/20 0.52
TSHR P16473 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL13831464 0.86 HTT (0.62) LMNAHTTALDH1A1MAPTMAPK1
SCHEMBL13831159 0.85 LMNA (0.60) LMNAHTTALDH1A1MAPTMAPK1
SCHEMBL18559167 0.85 LMNA (0.60) LMNAHTTALDH1A1MAPTMAPK1
SCHEMBL15983337 0.85 LMNA (0.59) LMNAHTTALDH1A1MAPTMAPK1
SCHEMBL15983359 0.84 ALDH1A1 (0.69) LMNAHTTALDH1A1MAPTKMT2A
SCHEMBL15983346 0.84 LMNA (0.58) LMNAHTTALDH1A1MAPTMAPK1
SCHEMBL13831176 0.84 ALDH1A1 (0.53) LMNAHTTALDH1A1MAPTMAPK1
SCHEMBL22019648 0.83 ALDH1A1 (0.75) LMNAHTTALDH1A1MAPTKMT2A
SCHEMBL15983344 0.83 LMNA (0.57) LMNAHTTALDH1A1MAPTMAPK1
SCHEMBL13831180 0.83 LMNA (0.57) LMNAHTTALDH1A1MAPTMAPK1

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-3653054-A1 COMPOSITION FOR INHIBITION OF INSECT SENSING Vanderbilt University (US) 2020-05-20 EP disclosed