SCHEMBL29863233

SCHEMBL29863233

CN(C)C(=O)c1ccc(Br)c2cccnc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
APAF1 O14727 1/20 0.47
TDP2 O95551 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
TP53 P04637 2/20 0.47
KDM4E B2RXH2 7/20 0.44
HTT P42858 2/20 0.44
USP2 O75604 1/20 0.44
HSP90AA1 P07900 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KDM6B O15054 1/20 0.42
KDM6A O15550 1/20 0.42
TET3 O43151 1/20 0.42

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
SCHEMBL23359872 1.00 KMT2A (0.47) KMT2AMEN1APAF1TDP2ALDH1A1
SCHEMBL23360684 0.85 KMT2A (0.48) KMT2AMEN1APAF1TDP2ALDH1A1
SCHEMBL23360445 0.82 HPGD (0.58) KMT2AMEN1ALDH1A1MAPTTP53
SCHEMBL1126280 0.81 KMT2A (0.62) KMT2AMEN1APAF1TDP2ALDH1A1
SCHEMBL16861478 0.80 KMT2A (0.51) KMT2AMEN1APAF1TDP2ALDH1A1
SCHEMBL20515237 0.80 KDM4E (0.59) KMT2AMEN1APAF1TDP2ALDH1A1
SCHEMBL23360051 0.79 KMT2A (0.53) KMT2AMEN1APAF1TDP2ALDH1A1
SCHEMBL15054071 0.79 KDM4E (0.62) KMT2AMEN1APAF1TDP2ALDH1A1
SCHEMBL31056854 0.79 KDM4E (0.62) KMT2AMEN1APAF1TDP2ALDH1A1
SCHEMBL29158845 0.79 KMT2A (0.47) KMT2AMEN1APAF1TDP2ALDH1A1

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-114867719-B Pyrrolidine and piperidine compounds 柳韩洋行 2024-06-25 CN disclosed
CN-114867719-A Pyrrolidine and piperidine compounds 柳韩洋行 2022-08-05 CN disclosed