SCHEMBL22019648

SCHEMBL22019648

CCn1c(SCC(=O)Nc2ccc(O)c(O)c2)nnc1-c1cccs1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.75
MAPT P10636 4/20 0.72
NPSR1 Q6W5P4 2/20 0.72
HSD17B10 Q99714 2/20 0.70
POLB P06746 2/20 0.70
KDM4E B2RXH2 1/20 0.70
RXFP1 Q9HBX9 1/20 0.70
LMNA P02545 2/20 0.69
HTT P42858 2/20 0.69
L3MBTL1 Q9Y468 1/20 0.69
ATM Q13315 1/20 0.67
USP2 O75604 2/20 0.67
TSHR P16473 2/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
HPGD P15428 2/20 0.63
GAA P10253 2/20 0.63
KMT2A Q03164 2/20 0.61
MEN1 O00255 1/20 0.60
GLA P06280 1/20 0.60
NPC1 O15118 1/20 0.59

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
SCHEMBL13832070 0.87 ALDH1A1 (0.83) ALDH1A1MAPTNPSR1HSD17B10POLB
SCHEMBL18559074 0.86 ALDH1A1 (1.00) ALDH1A1MAPTNPSR1HSD17B10POLB
SCHEMBL18559072 0.86 LMNA (0.83) ALDH1A1MAPTNPSR1HSD17B10POLB
SCHEMBL3889633 0.85 MAPT (0.82) ALDH1A1MAPTNPSR1HSD17B10POLB
SCHEMBL15986443 0.85 ALDH1A1 (0.80) ALDH1A1MAPTNPSR1HSD17B10POLB
SCHEMBL15983290 0.85 MAPT (0.82) ALDH1A1MAPTNPSR1HSD17B10POLB
SCHEMBL15983276 0.84 ALDH1A1 (0.79) ALDH1A1MAPTNPSR1HSD17B10POLB
SCHEMBL15986591 0.84 ALDH1A1 (1.00) ALDH1A1MAPTNPSR1HSD17B10POLB
SCHEMBL15983313 0.84 ALDH1A1 (0.90) ALDH1A1MAPTNPSR1HSD17B10POLB
SCHEMBL22018531 0.83 LMNA (0.59) ALDH1A1MAPTNPSR1POLBKDM4E

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