SCHEMBL29112424

SCHEMBL29112424

CC(C)(C)OC(=O)NCCCC(O)c1ccc(F)c(Br)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.48
KMT2A Q03164 1/20 0.48
IDO1 P14902 1/20 0.44
CA1 P00915 10/20 0.41
CA2 P00918 10/20 0.41
CA12 O43570 4/20 0.41
CA9 Q16790 4/20 0.41
TDP1 Q9NUW8 1/20 0.41
AAK1 Q2M2I8 3/20 0.40
BRD4 O60885 2/20 0.40
STK17B O94768 1/20 0.38
STK17A Q9UEE5 1/20 0.38

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
SCHEMBL31410591 0.83 MEN1 (0.43) MEN1GAAKMT2AIDO1CA1
SCHEMBL25496751 0.83 GAA (0.55) MEN1GAAKMT2ACA1CA2
SCHEMBL25496760 0.81 MEN1 (0.50) MEN1GAAKMT2ACA1CA2
SCHEMBL3649756 0.80 GAA (0.55) MEN1GAAKMT2AIDO1CA1
SCHEMBL25496756 0.80 GAA (0.55) MEN1GAAKMT2AIDO1CA1
SCHEMBL25496750 0.79 MEN1 (0.56) MEN1GAAKMT2ACA1CA2
SCHEMBL25496770 0.79 GAA (0.50) MEN1GAAKMT2ACA1CA2
SCHEMBL28630946 0.79 MEN1 (0.50) MEN1GAAKMT2AIDO1CA1
SCHEMBL25496038 0.79 GAA (0.50) MEN1GAAKMT2ACA1CA2
SCHEMBL25496775 0.79 HDAC1 (0.51) MEN1GAAKMT2ACA1CA2

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-117120090-A HPK1 antagonists and uses thereof 林伯士萨顿公司 2023-11-24 CN disclosed