SCHEMBL22018563

SCHEMBL22018563

CCn1c(SCC(=O)Nc2ccc3ccoc3c2)nnc1C1CC=CO1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.50
POLB P06746 3/20 0.46
MAPT P10636 3/20 0.46
HSD17B10 Q99714 3/20 0.46
LMNA P02545 2/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 3/20 0.44
TSHR P16473 2/20 0.44
ALOX15 P16050 2/20 0.44
MAPK1 P28482 1/20 0.44
MEN1 O00255 1/20 0.44
ESR1 P03372 1/20 0.44
NPY1R P25929 1/20 0.44
NPY2R P49146 1/20 0.44
USP2 O75604 2/20 0.43
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL22018790 0.85 ALDH1A1 (0.49) ALDH1A1POLBMAPTHSD17B10LMNA
SCHEMBL22018774 0.82 ALDH1A1 (0.55) ALDH1A1POLBMAPTLMNAKMT2A
SCHEMBL22019386 0.82 ALDH1A1 (0.63) ALDH1A1POLBMAPTHSD17B10LMNA
SCHEMBL13831962 0.79 KMT2A (0.63) ALDH1A1POLBMAPTHSD17B10LMNA
SCHEMBL13832266 0.79 ALDH1A1 (0.63) ALDH1A1POLBMAPTHSD17B10LMNA
SCHEMBL13832121 0.78 ALDH1A1 (0.56) ALDH1A1POLBMAPTHSD17B10LMNA
SCHEMBL22018552 0.78 RORC (0.69) ALDH1A1MAPTLMNAHPGDMAPK1
SCHEMBL15983302 0.78 ALDH1A1 (0.69) ALDH1A1POLBMAPTHSD17B10LMNA
SCHEMBL13831927 0.77 POLB (0.75) ALDH1A1POLBMAPTHSD17B10LMNA
SCHEMBL13831634 0.75 KMT2A (0.71) ALDH1A1POLBMAPTLMNAHPGD

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