SCHEMBL21089210

SCHEMBL21089210

C=CNc1cccc(NC=O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
MAPT P10636 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
AR P10275 1/20 0.34
TGM2 P21980 2/20 0.34
LIMK1 P53667 1/20 0.33
LPAR1 Q92633 1/20 0.33
LPAR2 Q9HBW0 1/20 0.33
GPR35 Q9HC97 1/20 0.33
LMNA P02545 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
KCNA5 P22460 1/20 0.32
PABPC1 P11940 1/20 0.32
KCNK3 O14649 1/20 0.31
KCNK9 Q9NPC2 1/20 0.31
NPC1 O15118 2/20 0.31
NFKB1 P19838 2/20 0.31
NFKB2 Q00653 2/20 0.31
RELA Q04206 2/20 0.31

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
SCHEMBL12129057 0.89 ALDH1A1 (0.67) ALDH1A1MAPTMEN1KMT2AAR
SCHEMBL24510844 0.78 ALDH1A1 (0.54) ALDH1A1MAPTMEN1KMT2AAR
SCHEMBL13893426 0.78 ALDH1A1 (0.54) ALDH1A1MAPTMEN1KMT2AAR
SCHEMBL1043645 0.78 ALDH1A1 (0.54) ALDH1A1MAPTMEN1KMT2AAR
SCHEMBL28214132 0.76 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ALIMK1
SCHEMBL4455128 0.76 ALDH1A1 (0.56) ALDH1A1MAPTMEN1KMT2AAR
SCHEMBL29960515 0.75 ALDH1A1 (0.53) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL224028 0.75 ALDH1A1 (0.53) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL13039531 0.74 ALDH1A1 (0.54) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL5476580 0.74 ALDH1A1 (0.54) ALDH1A1MAPTMEN1KMT2ALMNA

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-2558446-B1 NOVEL COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS AC IMMUNE SA (CH) 2019-06-12 EP disclosed