SCHEMBL22018522

SCHEMBL22018522

CCn1c(SCC(=O)Nc2ccc(C(C)=O)cc2)nnc1C1C=CC=NC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
USP2 O75604 1/20 0.54
MAPT P10636 6/20 0.51
NPC1 O15118 2/20 0.51
MEN1 O00255 1/20 0.51
HTT P42858 1/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TSHR P16473 2/20 0.50
THRB P10828 1/20 0.50
RXFP1 Q9HBX9 2/20 0.49
NPSR1 Q6W5P4 2/20 0.47
POLB P06746 3/20 0.46
KDM4E B2RXH2 1/20 0.46
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SLC27A1 Q6PCB7 1/20 0.45
LMNA P02545 1/20 0.45
ALOX15 P16050 1/20 0.45

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
SCHEMBL22018519 0.88 ALDH1A1 (0.62) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL22590252 0.80 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL4211339 0.80 ALDH1A1 (0.71) ALDH1A1USP2MAPTSMN1; SMN2TSHR
SCHEMBL18559297 0.74 ALDH1A1 (0.82) ALDH1A1MAPTSMN1; SMN2TSHRNPSR1
SCHEMBL15983257 0.74 POLB (0.71) ALDH1A1MAPTHTTKMT2ASMN1; SMN2
SCHEMBL22018518 0.74 ALDH1A1 (0.55) ALDH1A1MAPTNPC1MEN1HTT
SCHEMBL22019368 0.73 TSHR (0.54) ALDH1A1USP2MAPTNPC1HTT
SCHEMBL13831474 0.73 MAPT (0.69) ALDH1A1USP2MAPTNPC1MEN1
SCHEMBL15983290 0.72 MAPT (0.82) ALDH1A1USP2MAPTNPC1MEN1
SCHEMBL15986325 0.72 ALDH1A1 (0.82) ALDH1A1MAPTTSHRNPSR1POLB

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