SCHEMBL29045609

SCHEMBL29045609

CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1

nearest known ligand 0.80

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.80
L3MBTL1 Q9Y468 6/20 0.80
MEN1 O00255 5/20 0.80
GAA P10253 1/20 0.70
AMY1A P0DUB6 5/20 0.64
POLB P06746 2/20 0.64
KAT8 Q9H7Z6 1/20 0.61
MAPT P10636 6/20 0.60
ALDH1A1 P00352 4/20 0.60
TDP1 Q9NUW8 3/20 0.60
KDM4E B2RXH2 2/20 0.60
PKM P14618 1/20 0.60
HPGD P15428 1/20 0.60
MAPK1 P28482 4/20 0.60
SMN1; SMN2 Q16637 1/20 0.59
LMNA P02545 1/20 0.58
HTT P42858 1/20 0.58

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
SCHEMBL29045612 1.00 KMT2A (0.80) KMT2AL3MBTL1MEN1GAAAMY1A
SCHEMBL28468357 0.89 KMT2A (0.79) KMT2AL3MBTL1MEN1GAAAMY1A
SCHEMBL418912 0.89 KMT2A (1.00) KMT2AL3MBTL1MEN1GAAAMY1A
SCHEMBL443451 0.89 KMT2A (1.00) KMT2AL3MBTL1MEN1GAAAMY1A
SCHEMBL28476008 0.87 KMT2A (0.81) KMT2AL3MBTL1MEN1GAAPOLB
SCHEMBL10035997 0.87 KMT2A (0.81) KMT2AL3MBTL1MEN1GAAPOLB
SCHEMBL28967916 0.87 KMT2A (0.81) KMT2AL3MBTL1MEN1GAAPOLB
SCHEMBL29045581 0.86 KMT2A (0.76) KMT2AL3MBTL1MEN1GAAAMY1A
SCHEMBL29045579 0.86 KMT2A (0.76) KMT2AL3MBTL1MEN1GAAAMY1A
SCHEMBL28967919 0.86 KMT2A (0.90) KMT2AL3MBTL1MEN1GAAAMY1A

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-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