SCHEMBL28525699

SCHEMBL28525699

NS(=O)(=O)c1ccc(NC[C@H]2CCN(C3COC3)C2)c([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.55
PKM P14618 6/20 0.55
POLB P06746 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 4/20 0.42
ALDH1A1 P00352 2/20 0.42
HTT P42858 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 5/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPK1 P28482 1/20 0.40
BCL2 P10415 1/20 0.40
BCL2L1 Q07817 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
SCHEMBL1699931 1.00 MAPT (0.55) MAPTPKMPOLBSMN1; SMN2TDP1
SCHEMBL1808362 1.00 MAPT (0.55) MAPTPKMPOLBSMN1; SMN2TDP1
SCHEMBL24774848 0.94 MAPT (0.56) MAPTPKMPOLBSMN1; SMN2TDP1
SCHEMBL28532283 0.92 MAPT (0.50) MAPTPKMPOLBSMN1; SMN2TDP1
SCHEMBL28532282 0.92 MAPT (0.50) MAPTPKMPOLBSMN1; SMN2TDP1
SCHEMBL31525120 0.92 MAPT (0.50) MAPTPKMPOLBSMN1; SMN2TDP1
Trifluoroacetic Acid SCHEMBL28527989 0.86 MAPT (0.49) MAPTPKMPOLBSMN1; SMN2TDP1
SCHEMBL1700417 0.85 MAPT (0.58) MAPTPKMPOLBSMN1; SMN2TDP1
SCHEMBL28527992 0.85 MAPT (0.58) MAPTPKMPOLBSMN1; SMN2TDP1
SCHEMBL29855753 0.85 MAPT (0.58) MAPTPKMPOLBSMN1; SMN2TDP1

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