SCHEMBL29640466

SCHEMBL29640466

C=C(C(=O)OCC)c1cccnc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.52
ALDH1A1 P00352 5/20 0.51
MAPT P10636 2/20 0.51
KMT2A Q03164 4/20 0.50
LMNA P02545 3/20 0.50
TP53 P04637 2/20 0.50
MEN1 O00255 1/20 0.49
POLB P06746 1/20 0.49
GAA P10253 2/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
APP P05067 1/20 0.47
HCAR3 P49019 1/20 0.47
HCAR2 Q8TDS4 1/20 0.47
TBXAS1 P24557 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL6783785 1.00 L3MBTL1 (0.52) L3MBTL1ALDH1A1MAPTKMT2ALMNA
SCHEMBL25437165 0.86 THRB (0.49) L3MBTL1ALDH1A1MAPTKMT2ALMNA
SCHEMBL25436022 0.86 ALDH1A1 (0.49) L3MBTL1ALDH1A1MAPTKMT2ALMNA
SCHEMBL25436402 0.84 ALDH1A1 (0.47) L3MBTL1ALDH1A1MAPTKMT2ALMNA
SCHEMBL3218011 0.84 KMT2A (0.57) L3MBTL1ALDH1A1MAPTKMT2ALMNA
SCHEMBL31724375 0.82 ALDH1A1 (0.64) ALDH1A1MAPTKMT2ALMNAMEN1
SCHEMBL30930824 0.81 L3MBTL1 (0.52) L3MBTL1ALDH1A1MAPTKMT2ALMNA
SCHEMBL30930821 0.81 L3MBTL1 (0.52) L3MBTL1ALDH1A1MAPTKMT2ALMNA
SCHEMBL8663801 0.81 HDAC1 (0.49) L3MBTL1ALDH1A1MAPTKMT2ALMNA
SCHEMBL16883651 0.80 TBXAS1 (0.47) L3MBTL1ALDH1A1MAPTKMT2ALMNA

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
CN-114450006-A TrkB positive allosteric modulators 斯特拉斯堡大学 2022-05-06 CN disclosed