SCHEMBL30003577

SCHEMBL30003577

NS(=O)(=O)c1ccc(NCCN2CCC3(CC2)COC3)c([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.55
PKM P14618 6/20 0.55
POLB P06746 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.52
GAA P10253 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 1/20 0.46
RAB9A P51151 1/20 0.45
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 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
SCHEMBL30777658 0.93 MAPT (0.52) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL22581507 0.93 MAPT (0.52) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL29482111 0.87 MAPT (0.62) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL1958872 0.87 MAPT (0.62) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL22594040 0.84 MAPT (0.54) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL1957750 0.84 MAPT (0.63) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL21751695 0.83 MAPT (0.59) MAPTPKMPOLBSMN1; SMN2GAA
Hydrochloric Acid SCHEMBL21751590 0.82 MAPT (0.58) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL21542231 0.81 MAPT (0.57) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL1699958 0.81 MAPT (0.72) MAPTPKMPOLBSMN1; SMN2GAA

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
WO-2022218311-A1 MODULATORS OF BCL-2 OR BCL-2/BCL-XL AND USES THEREOF APPICINE THERAPEUTICS (HK) LIMITED (CN) 2022-10-20 WO disclosed