SCHEMBL28527992

SCHEMBL28527992

NS(=O)(=O)c1ccc(NC[C@@H]2CN(C3COC3)CCO2)c([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.58
PKM P14618 5/20 0.58
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
POLB P06746 2/20 0.45
LMNA P02545 5/20 0.45
TDP1 Q9NUW8 3/20 0.45
ALDH1A1 P00352 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
BCL2 P10415 4/20 0.43
BCL2L1 Q07817 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HCAR3 P49019 1/20 0.43
GAA P10253 1/20 0.40

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
SCHEMBL1700417 1.00 MAPT (0.58) MAPTPKMKMT2AMEN1POLB
SCHEMBL1700419 1.00 MAPT (0.58) MAPTPKMKMT2AMEN1POLB
SCHEMBL29855753 1.00 MAPT (0.58) MAPTPKMKMT2AMEN1POLB
SCHEMBL28682231 0.93 KMT2A (0.54) MAPTPKMKMT2AMEN1POLB
SCHEMBL1700798 0.92 KMT2A (0.56) MAPTPKMKMT2AMEN1POLB
SCHEMBL1701560 0.92 KMT2A (0.56) MAPTPKMKMT2AMEN1POLB
SCHEMBL1700801 0.92 KMT2A (0.56) MAPTPKMKMT2AMEN1POLB
SCHEMBL1808362 0.85 MAPT (0.55) MAPTPKMKMT2AMEN1POLB
SCHEMBL1699931 0.85 MAPT (0.55) MAPTPKMKMT2AMEN1POLB
SCHEMBL28525699 0.85 MAPT (0.55) 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 4 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-117430601-A Bcl-2 inhibitors 百济神州有限公司 2024-01-23 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