SCHEMBL22018917

SCHEMBL22018917

CCn1c(SC(C)(C)C(=O)NC2=CC=CCC2)nnc1-c1ccc(OC)cn1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
KMT2A Q03164 2/20 0.34
LMNA P02545 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 3/20 0.34
ALPG P10696 1/20 0.34
USP2 O75604 1/20 0.34
HPGD P15428 2/20 0.33
TSHR P16473 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PIK3CD O00329 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL13831787 0.82 NPSR1 (0.44) ALDH1A1KMT2ALMNAMAPTUSP2
SCHEMBL22018558 0.79 ALDH1A1 (0.49) ALDH1A1LMNAMAPTUSP2HPGD
SCHEMBL22018782 0.78 ALDH1A1 (0.49) ALDH1A1KMT2ALMNAMEN1MAPT
SCHEMBL22019637 0.77 KDM4E (0.30) ALDH1A1HPGD
SCHEMBL22019356 0.70 ALDH1A1 (0.53) ALDH1A1KMT2ALMNAMEN1MAPT
SCHEMBL13831759 0.69 NPSR1 (0.45) ALDH1A1KMT2ALMNAMEN1MAPT
SCHEMBL13832308 0.69 LMNA (0.55) ALDH1A1KMT2ALMNAMEN1MAPT
SCHEMBL13831761 0.68 ALDH1A1 (0.42) ALDH1A1LMNAMAPTUSP2HPGD
SCHEMBL13831831 0.68 ALDH1A1 (0.61) ALDH1A1KMT2ALMNAMAPTUSP2
SCHEMBL13831765 0.67 NPSR1 (0.43) ALDH1A1KMT2ALMNAMEN1MAPT

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