SCHEMBL23402811

SCHEMBL23402811

Cc1cccc(-c2c[nH]n(C)c2=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
TDP2 O95551 1/20 0.42
MAOB P27338 1/20 0.41
FYN P06241 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
NOTUM Q6P988 1/20 0.40
LDHA P00338 1/20 0.39
LDHB P07195 1/20 0.39
PARP10 Q53GL7 1/20 0.39
PARP11 Q9NR21 1/20 0.39
NR3C2 P08235 1/20 0.39
TYMP P19971 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
XDH P47989 1/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
HPD P32754 1/20 0.37

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
SCHEMBL23402400 0.80 MEN1 (0.47) KMT2AMEN1GAA
SCHEMBL23402689 0.80 ALDH1A1 (0.42) KMT2AMEN1GAATDP2MAOB
SCHEMBL23402882 0.80 KMT2A (0.40) KMT2AMEN1GAATDP2MAOB
SCHEMBL23401134 0.80 MAPK14 (0.42) KMT2AMEN1GAATDP2MAOB
SCHEMBL23400468 0.80 KMT2A (0.61) KMT2AMEN1GAAL3MBTL1
SCHEMBL23399448 0.80 ALDH1A1 (0.40) KMT2AMEN1GAATDP2MAOB
SCHEMBL23403534 0.79 MEN1 (0.39) KMT2AMEN1GAATDP2HPD
SCHEMBL23400435 0.78 KMT2A (0.72) KMT2AMEN1GAAL3MBTL1
SCHEMBL23399068 0.78 MEN1 (0.59) KMT2AMEN1GAAMAOBFYN
SCHEMBL23402063 0.78 KDM4E (0.48) KMT2AMEN1GAATDP2

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-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed