SCHEMBL22018946

SCHEMBL22018946

CCn1c(SC(COC)C(=O)Nc2ccccc2)nnc1C1=CC=NC(C)C1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TSHR P16473 3/20 0.35
NPC1 O15118 2/20 0.35
LMNA P02545 2/20 0.35
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 3/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SLC27A1 Q6PCB7 1/20 0.34

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
SCHEMBL13830896 0.82 GAA (0.56) GAATDP1MEN1KMT2ATSHR
SCHEMBL13831867 0.78 ALDH1A1 (0.54) GAAMEN1KMT2ALMNAKDM4E
SCHEMBL13832059 0.78 NPSR1 (0.55) GAAMEN1KMT2ATSHRNPC1
SCHEMBL15983230 0.78 NPSR1 (0.56) GAAMEN1KMT2ATSHRNPC1
SCHEMBL13831425 0.77 POLB (0.55) MEN1KMT2ATSHRLMNAUSP2
SCHEMBL13830890 0.76 GAA (0.50) GAATDP1KMT2ATSHRNPC1
SCHEMBL13831662 0.76 ALDH1A1 (0.62) GAAMEN1KMT2ATSHRLMNA
SCHEMBL13831446 0.76 GAA (0.45) GAATDP1MEN1KMT2ATSHR
SCHEMBL22018525 0.74 ALDH1A1 (0.35) MEN1KMT2ATSHRALDH1A1POLB
SCHEMBL13831036 0.69 GAA (0.54) GAAMEN1KMT2ATSHRNPC1

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