SCHEMBL23969682

SCHEMBL23969682

CN/C(=C\C=C(/C=O)C(=O)O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
MAPK1 P28482 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
TSHR P16473 2/20 0.36
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
MAPT P10636 3/20 0.34
CES1 P23141 3/20 0.34
KDM4E B2RXH2 2/20 0.34
ALOX15 P16050 2/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA9 Q16790 2/20 0.34
PTPN1 P18031 1/20 0.34
ERCC5 P28715 1/20 0.34
FEN1 P39748 1/20 0.34
CA2 P00918 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
SCHEMBL12963614 0.78 TDP1 (0.45) ALDH1A1MAPK1TDP1TSHRMEN1
SCHEMBL23019643 0.74 TDP1 (0.41) ALDH1A1MAPK1TDP1TSHRMEN1
SCHEMBL4536997 0.71 TDP1 (0.45) ALDH1A1MAPK1TDP1TSHRMEN1
SCHEMBL4536988 0.71 TDP1 (0.45) ALDH1A1MAPK1TDP1TSHRMEN1
SCHEMBL19624772 0.71 AKT1 (0.39) ALDH1A1MAPK1TDP1TSHRMEN1
SCHEMBL4536993 0.71 TDP1 (0.45) ALDH1A1MAPK1TDP1TSHRMEN1
SCHEMBL10228486 0.71 TDP1 (0.35) ALDH1A1MAPK1TDP1TSHRMEN1
SCHEMBL13066991 0.69 TDP1 (0.41) ALDH1A1MAPK1TDP1TSHRMEN1
SCHEMBL21659115 0.69 MTNR1A (0.44) ALDH1A1MAPK1TDP1TSHRMEN1
SCHEMBL23969673 0.69 ATM (0.37) ALDH1A1MAPK1TDP1MEN1KMT2A

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-3904366-A1 END CAPPED NUCLEIC ACID MOLECULES Novartis AG (CH) 2021-11-03 EP disclosed