SCHEMBL29045646

SCHEMBL29045646

CC1=NN(c2ccccc2)C(=O)/C1=C/c1cccc(C)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 12/20 1.00
MEN1 O00255 7/20 1.00
GAA P10253 2/20 1.00
L3MBTL1 Q9Y468 9/20 0.66
POLB P06746 2/20 0.66
KAT8 Q9H7Z6 1/20 0.63
MAPT P10636 9/20 0.62
ALDH1A1 P00352 6/20 0.62
TDP1 Q9NUW8 4/20 0.62
KDM4E B2RXH2 4/20 0.62
HPGD P15428 2/20 0.62
PKM P14618 1/20 0.62
MAPK1 P28482 7/20 0.60
LMNA P02545 2/20 0.60
HTT P42858 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.57

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
SCHEMBL29045647 1.00 KMT2A (1.00) KMT2AMEN1GAAL3MBTL1POLB
SCHEMBL29183967 0.92 KMT2A (0.85) KMT2AMEN1GAAL3MBTL1POLB
SCHEMBL28476008 0.89 KMT2A (0.81) KMT2AMEN1GAAL3MBTL1POLB
SCHEMBL10035997 0.89 KMT2A (0.81) KMT2AMEN1GAAL3MBTL1POLB
SCHEMBL28967916 0.89 KMT2A (0.81) KMT2AMEN1GAAL3MBTL1POLB
SCHEMBL28468357 0.88 KMT2A (0.79) KMT2AMEN1GAAL3MBTL1POLB
SCHEMBL28967922 0.87 KMT2A (0.77) KMT2AMEN1GAAL3MBTL1POLB
SCHEMBL28967926 0.87 KMT2A (0.77) KMT2AMEN1GAAL3MBTL1POLB
SCHEMBL30838882 0.87 KMT2A (0.77) KMT2AMEN1GAAL3MBTL1POLB
SCHEMBL28473982 0.86 KMT2A (0.82) KMT2AMEN1GAAL3MBTL1POLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116514834-A Chiral alpha-CF 2 H spiro [ pyrrolidine-pyrazolones]Synthesis method of class compound 深圳市图微安创科技开发有限公司 2023-08-01 CN claimed
CN-116514834-A Chiral alpha-CF 2 H spiro [ pyrrolidine-pyrazolones]Synthesis method of class compound 深圳市图微安创科技开发有限公司 2023-08-01 CN disclosed