SCHEMBL30723331

SCHEMBL30723331

CCOC(=O)C(CC1CCn2c1nc1c(C)c(C)ccc1c2=O)C(=O)OCC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.34
MEN1 O00255 3/20 0.34
MAPT P10636 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 7/20 0.33
GAA P10253 1/20 0.33
HSD17B10 Q99714 2/20 0.32
LMNA P02545 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
NPSR1 Q6W5P4 4/20 0.32
RAB9A P51151 3/20 0.32
POLB P06746 1/20 0.32
NPC1 O15118 1/20 0.32
PLA2G1B P04054 1/20 0.32
ATG4B Q9Y4P1 1/20 0.32
HPGD P15428 2/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 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
SCHEMBL30723324 0.88 KDM4E (0.38) KMT2AMEN1MAPTL3MBTL1ALDH1A1
SCHEMBL30723322 0.84 MAPT (0.36) KMT2AMEN1MAPTL3MBTL1ALDH1A1
SCHEMBL30723305 0.84 MAPT (0.40) KMT2AMEN1MAPTL3MBTL1ALDH1A1
SCHEMBL30723307 0.84 TRPV4 (0.44) KMT2AMEN1MAPTL3MBTL1ALDH1A1
SCHEMBL30723313 0.83 CYP1A1 (0.43) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL30723309 0.82 MAPK1 (0.39) KMT2AMEN1MAPTL3MBTL1ALDH1A1
SCHEMBL30723311 0.82 CYP2C9 (0.37) KMT2AMEN1MAPTL3MBTL1ALDH1A1
SCHEMBL30723314 0.81 ACHE (0.54) KMT2AMEN1MAPTL3MBTL1ALDH1A1
SCHEMBL30723302 0.80 MEN1 (0.38) KMT2AMEN1MAPTL3MBTL1ALDH1A1
SCHEMBL30723298 0.80 SMN1; SMN2 (0.43) KMT2AMEN1MAPTL3MBTL1ALDH1A1

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-117486887-A Polycyclic pyrimidine-4-ketone compound and preparation method and application thereof 昆明学院 2024-02-02 CN disclosed