SCHEMBL29644729

SCHEMBL29644729

COc1ccc(N2C(=O)C(c3ccccc3)=C(c3ccccc3)C2=O)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 4/20 0.69
NR1H2 P55055 3/20 0.69
RAD51 Q06609 1/20 0.54
MGLL Q99685 1/20 0.53
POLB P06746 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
MAPT P10636 4/20 0.51
ALDH1A1 P00352 3/20 0.49
PGR P06401 1/20 0.49
ESR1 P03372 1/20 0.49
KDM4E B2RXH2 1/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
LMNA P02545 2/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL6629542 0.87 NR1H3 (0.58) NR1H3NR1H2MGLLPOLBMEN1
SCHEMBL14777408 0.81 NR1H2 (0.53) NR1H3NR1H2RAD51MGLLMEN1
SCHEMBL2550387 0.80 NR1H3 (0.81) NR1H3NR1H2MGLLPOLBMEN1
SCHEMBL29644730 0.80 F2 (0.52) NR1H3NR1H2RAD51MGLLMEN1
SCHEMBL11610790 0.79 MGLL (0.56) NR1H3NR1H2MGLLPOLBMEN1
SCHEMBL28431988 0.78 MAPT (0.57) NR1H3NR1H2MGLLPOLBMEN1
SCHEMBL15437728 0.77 RAD51 (0.49) NR1H3NR1H2RAD51MGLLPOLB
SCHEMBL15437909 0.77 MEN1 (0.63) NR1H3NR1H2RAD51MGLLPOLB
SCHEMBL29644721 0.77 RAD51 (0.49) NR1H3NR1H2RAD51MGLLPOLB
SCHEMBL28080906 0.76 NR1H2 (0.71) NR1H3NR1H2MEN1KMT2AKDM4E

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-114456100-A Method for preparing maleimide through cyclization of aryl acetaldehyde and primary amine 长沙资材科技有限公司 2022-05-10 CN disclosed