SCHEMBL22018525

SCHEMBL22018525

CCn1c(SC(COC)C(=O)Nc2ccccc2)nnc1C1C=CC=CC1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
POLB P06746 1/20 0.35
SLC27A1 Q6PCB7 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
RECQL P46063 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
SCHEMBL22018528 0.78 ALDH1A1 (0.37) ALDH1A1TSHRPOLBSLC27A1
SCHEMBL13830896 0.77 GAA (0.56) ALDH1A1TSHRPOLBMEN1KMT2A
SCHEMBL13831867 0.76 ALDH1A1 (0.54) ALDH1A1POLBMEN1KMT2A
SCHEMBL13832059 0.75 NPSR1 (0.55) ALDH1A1TSHRPOLBMEN1KMT2A
SCHEMBL22018946 0.74 GAA (0.38) ALDH1A1TSHRPOLBSLC27A1MEN1
SCHEMBL15983230 0.73 NPSR1 (0.56) ALDH1A1TSHRPOLBMEN1KMT2A
SCHEMBL13831425 0.73 POLB (0.55) ALDH1A1TSHRPOLBMEN1KMT2A
SCHEMBL13830890 0.72 GAA (0.50) ALDH1A1TSHRPOLBKMT2A
SCHEMBL13831446 0.72 GAA (0.45) ALDH1A1TSHRPOLBMEN1KMT2A
SCHEMBL13831662 0.72 ALDH1A1 (0.62) ALDH1A1TSHRPOLBMEN1KMT2A

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