SCHEMBL29045581

SCHEMBL29045581

CC1=NN(c2cccc(Cl)c2)C(=O)C1=Cc1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.76
MEN1 O00255 5/20 0.76
L3MBTL1 Q9Y468 4/20 0.76
GAA P10253 1/20 0.70
KAT8 Q9H7Z6 1/20 0.62
AMY1A P0DUB6 2/20 0.58
POLB P06746 2/20 0.58
DHFR P00374 1/20 0.56
ALDH1A1 P00352 5/20 0.55
HPGD P15428 2/20 0.55
HSD17B10 Q99714 1/20 0.55
MAPT P10636 4/20 0.55
TDP1 Q9NUW8 3/20 0.55
MAPK1 P28482 2/20 0.55
LMNA P02545 1/20 0.55
HTT P42858 1/20 0.55
KDM4E B2RXH2 1/20 0.54
PKM P14618 1/20 0.54
EP300 Q09472 1/20 0.54
PTPN1 P18031 1/20 0.54

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
SCHEMBL29045579 1.00 KMT2A (0.76) KMT2AMEN1L3MBTL1GAAKAT8
SCHEMBL28468357 0.95 KMT2A (0.79) KMT2AMEN1L3MBTL1GAAKAT8
SCHEMBL447476 0.89 KMT2A (0.67) KMT2AMEN1L3MBTL1GAAKAT8
SCHEMBL419549 0.89 KMT2A (0.67) KMT2AMEN1L3MBTL1GAAKAT8
SCHEMBL29183967 0.88 KMT2A (0.85) KMT2AMEN1L3MBTL1GAAKAT8
SCHEMBL28476008 0.87 KMT2A (0.81) KMT2AMEN1L3MBTL1GAAKAT8
SCHEMBL28967916 0.87 KMT2A (0.81) KMT2AMEN1L3MBTL1GAAKAT8
SCHEMBL10035997 0.87 KMT2A (0.81) KMT2AMEN1L3MBTL1GAAKAT8
SCHEMBL29045612 0.86 KMT2A (0.80) KMT2AMEN1L3MBTL1GAAKAT8
SCHEMBL28967919 0.86 KMT2A (0.90) KMT2AMEN1L3MBTL1GAAKAT8

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