SCHEMBL28720409

SCHEMBL28720409

COCOC(C)(C)c1cc(OC(N)=O)ccc1Br

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NR1H4 Q96RI1 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KIF11 P52732 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CA2 P00918 1/20 0.32
MAPT P10636 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
NOTUM Q6P988 1/20 0.31
ATM Q13315 2/20 0.30
GAA P10253 1/20 0.30
XBP1 P17861 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL28401976 0.79 MEN1 (0.46) MEN1KMT2ANR1H4KIF11CA2
SCHEMBL28721751 0.77 UCHL1 (0.33) MEN1KMT2ACA2
SCHEMBL29607873 0.71 ALDH1A1 (0.40) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL25408607 0.70 KMT2A (0.53) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL2059025 0.69 CA1 (0.33) ALDH1A1CA2
SCHEMBL9444016 0.69 MEN1 (0.52) MEN1KMT2ANR1H4KIF11ALDH1A1
SCHEMBL28913039 0.68 MEN1 (0.40) MEN1KMT2AKIF11ALDH1A1CA2
SCHEMBL28913210 0.68 MEN1 (0.40) MEN1KMT2ASMN1; SMN2KIF11MAPT
SCHEMBL28242033 0.67 KMT2A (0.53) MEN1KMT2ASMN1; SMN2KIF11ALDH1A1
SCHEMBL23457089 0.66 SMN1; SMN2 (0.33) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT

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-114341145-A Chemical compound 博拉公司 2022-04-12 CN disclosed