SCHEMBL29138050

SCHEMBL29138050

O=C(NC1CC1)c1ccc(Cl)c(B(O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.52
MEN1 O00255 3/20 0.52
MAPT P10636 2/20 0.52
KDM4E B2RXH2 1/20 0.52
POLB P06746 1/20 0.52
MAPK1 P28482 1/20 0.52
CNR2 P34972 1/20 0.52
MAPK14 Q16539 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
TAS1R3 Q7RTX0 2/20 0.48
TAS1R2 Q8TE23 2/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
ADRA2A P08913 1/20 0.47
HRH1 P35367 1/20 0.47
HTR2B P41595 1/20 0.47
MCHR1 Q99705 1/20 0.47
HPGD P15428 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL20605147 0.93 CNR2 (0.62) KMT2AKDM4ECNR2L3MBTL1TAS1R3
SCHEMBL13146407 0.83 MAPK14 (0.56) KMT2AMEN1CNR2MAPK14NPC1
SCHEMBL9900222 0.82 TAS1R3 (0.58) KMT2AMEN1MAPK14L3MBTL1TAS1R3
SCHEMBL14568525 0.81 MEN1 (0.54) KMT2AMEN1MAPTKDM4EPOLB
SCHEMBL178563 0.81 MEN1 (0.68) KMT2AMEN1MAPTKDM4EPOLB
SCHEMBL2085543 0.80 KMT2A (0.56) KMT2AMEN1MAPTKDM4EPOLB
SCHEMBL26132189 0.79 HDAC8 (0.46) KMT2AMEN1MAPTKDM4EPOLB
SCHEMBL13544722 0.79 SMYD3 (0.52) KMT2AMEN1MAPTKDM4EPOLB
SCHEMBL2946787 0.78 KMT2A (0.54) KMT2AMEN1MAPTKDM4EPOLB
SCHEMBL5630057 0.78 KMT2A (0.54) KMT2AMEN1MAPTKDM4EPOLB

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-117343081-A MAT2A inhibitor, pharmaceutical composition and application thereof 南京正大天晴制药有限公司 2024-01-05 CN disclosed