SCHEMBL28533913

SCHEMBL28533913

NS(=O)(=O)c1ccc(NCCN2CCOCC2O)c([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.52
▸ PKM P14618 6/20 0.52
▸ POLB P06746 3/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.46
▸ GAA P10253 4/20 0.43
▸ LMNA P02545 3/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ BCL2L1 Q07817 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HTT P42858 1/20 0.41

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
SCHEMBL29482111 0.82 MAPT (0.62) MAPTPKMPOLBSMN1; SMN2KDM4E
SCHEMBL1958872 0.82 MAPT (0.62) MAPTPKMPOLBSMN1; SMN2KDM4E
SCHEMBL1699958 0.79 MAPT (0.72) MAPTPKMPOLBSMN1; SMN2KDM4E
SCHEMBL30468003 0.79 MAPT (0.72) MAPTPKMPOLBSMN1; SMN2KDM4E
SCHEMBL28198503 0.78 MAPT (0.50) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL29139917 0.78 MAPT (0.54) MAPTPKMPOLBSMN1; SMN2KDM4E
SCHEMBL27906761 0.76 MAPT (0.52) MAPTPKMPOLBSMN1; SMN2KDM4E
SCHEMBL16038843 0.76 MAPT (0.61) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL21542231 0.75 MAPT (0.57) MAPTPKMPOLBSMN1; SMN2KDM4E
SCHEMBL30003577 0.75 MAPT (0.55) MAPTPKMPOLBSMN1; SMN2KDM4E

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-112437772-A Bcl-2 inhibitors 百济神州有限公司 2021-03-02 — — CN disclosed
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