SCHEMBL29880591

SCHEMBL29880591

COc1cccc(-c2nc3ccccc3n2C(CC(C)C)C(=O)NC(C)C)c1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44
PKM P14618 1/20 0.41
NR1H4 Q96RI1 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
LMNA P02545 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HTT P42858 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
SMN1; SMN2 Q16637 4/20 0.37
MAPT P10636 4/20 0.37
TSHR P16473 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TP53 P04637 1/20 0.36
ANPEP P15144 1/20 0.36

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
SCHEMBL3561746 1.00 MEN1 (0.44) MEN1KMT2AATMPKMNR1H4
SCHEMBL22440198 0.88 MEN1 (0.47) MEN1KMT2AATMPKMLMNA
SCHEMBL29881000 0.88 MEN1 (0.47) MEN1KMT2AATMPKMLMNA
SCHEMBL3561749 0.88 MEN1 (0.42) MEN1KMT2AATMPKMNR1H4
SCHEMBL29881718 0.88 MEN1 (0.42) MEN1KMT2AATMPKMMAOA
SCHEMBL3564887 0.88 MEN1 (0.42) MEN1KMT2AATMPKMMAOA
SCHEMBL29880962 0.87 KMT2A (0.41) MEN1KMT2AATMPKMMAOA
SCHEMBL3565825 0.87 KMT2A (0.41) MEN1KMT2AATMPKMMAOA
SCHEMBL3561034 0.87 NR1H4 (0.56) MEN1KMT2ANR1H4LMNAHTT
SCHEMBL3563980 0.81 NR1H4 (0.45) MEN1KMT2AATMPKMNR1H4

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-110404073-B Methods and pharmaceutical compositions for treating hepatitis B virus infection 国家医疗保健研究所 2022-08-16 CN disclosed