SCHEMBL28540244

SCHEMBL28540244

NS(=O)(=O)c1ccc(NCC2CC(O)CO2)c([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.62
PKM P14618 6/20 0.62
KMT2A Q03164 5/20 0.55
MEN1 O00255 3/20 0.55
POLB P06746 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.48
TDP1 Q9NUW8 2/20 0.48
LMNA P02545 3/20 0.48
HCAR3 P49019 1/20 0.47
ALDH1A1 P00352 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GAA P10253 2/20 0.47
GFER P55789 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
DOT1L Q8TEK3 1/20 0.43

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
SCHEMBL25307688 0.84 MAPT (0.59) MAPTPKMKMT2AMEN1POLB
SCHEMBL1810940 0.83 MAPT (0.66) MAPTPKMKMT2AMEN1POLB
SCHEMBL30074954 0.83 MAPT (0.66) MAPTPKMKMT2AMEN1POLB
SCHEMBL16037369 0.83 MAPT (0.66) MAPTPKMKMT2AMEN1POLB
SCHEMBL29398480 0.83 MAPT (0.66) MAPTPKMKMT2AMEN1POLB
SCHEMBL29398771 0.83 MAPT (0.66) MAPTPKMKMT2AMEN1POLB
SCHEMBL16037933 0.83 MAPT (0.66) MAPTPKMKMT2AMEN1POLB
SCHEMBL16038420 0.83 MAPT (0.65) MAPTPKMKMT2AMEN1POLB
SCHEMBL16039933 0.83 MAPT (0.65) MAPTPKMKMT2AMEN1POLB
SCHEMBL16039190 0.83 MAPT (0.65) MAPTPKMKMT2AMEN1POLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117683029-A Bcl-2 inhibitors 百济神州有限公司 2024-03-12 CN disclosed
CN-112437772-B Bcl-2 inhibitors 百济神州有限公司 2023-11-21 CN disclosed
CN-112437772-A Bcl-2 inhibitors 百济神州有限公司 2021-03-02 CN disclosed