SCHEMBL22018940

SCHEMBL22018940

COc1ccc(Cn2c(SCC(=O)NC3=CC=CCC3)nnc2-c2cccnc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
USP2 O75604 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.52
PDE6D O43924 1/20 0.52
POLB P06746 1/20 0.51
MAPT P10636 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
KMT2A Q03164 1/20 0.48
LMNA P02545 3/20 0.48
RXFP1 Q9HBX9 1/20 0.48
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL13831942 0.84 PDE6D (0.68) ALDH1A1USP2L3MBTL1PDE6DPOLB
SCHEMBL4205756 0.82 NPSR1 (0.72) ALDH1A1USP2L3MBTL1PDE6DMAPT
SCHEMBL22019371 0.77 ALDH1A1 (0.48) ALDH1A1USP2L3MBTL1MAPTKMT2A
SCHEMBL18559204 0.77 KMT2A (0.68) ALDH1A1USP2L3MBTL1MAPTKMT2A
SCHEMBL13830905 0.75 NPSR1 (0.75) ALDH1A1PDE6DMAPTNPSR1LMNA
SCHEMBL4206347 0.74 ALDH1A1 (0.78) ALDH1A1USP2L3MBTL1MAPTKMT2A
SCHEMBL13832027 0.74 NPSR1 (0.70) ALDH1A1PDE6DMAPTNPSR1LMNA
SCHEMBL18559127 0.74 LMNA (0.68) ALDH1A1L3MBTL1MAPTKMT2ALMNA
SCHEMBL19549101 0.74 LMNA (0.73) ALDH1A1USP2POLBMAPTKMT2A
SCHEMBL22019358 0.73 KMT2A (0.45) ALDH1A1USP2MAPTKMT2ALMNA

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