SCHEMBL30075005

SCHEMBL30075005

NS(=O)(=O)c1ccc(NCC2CCOC2)c([N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.60
PKM P14618 6/20 0.60
POLB P06746 2/20 0.54
KMT2A Q03164 3/20 0.53
MEN1 O00255 1/20 0.53
TDP1 Q9NUW8 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
HTT P42858 3/20 0.48
ALDH1A1 P00352 2/20 0.48
GAA P10253 3/20 0.46
NPSR1 Q6W5P4 3/20 0.46
DOT1L Q8TEK3 1/20 0.46
LMNA P02545 4/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MAPK1 P28482 2/20 0.44
XBP1 P17861 1/20 0.44
RECQL P46063 1/20 0.44
GFER P55789 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44

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
SCHEMBL16037476 1.00 MAPT (0.60) MAPTPKMPOLBKMT2AMEN1
SCHEMBL1699987 1.00 MAPT (0.60) MAPTPKMPOLBKMT2AMEN1
SCHEMBL1699969 0.94 MAPT (0.57) MAPTPKMPOLBKMT2AMEN1
SCHEMBL30075042 0.94 MAPT (0.57) MAPTPKMPOLBKMT2AMEN1
SCHEMBL1699967 0.94 MAPT (0.57) MAPTPKMPOLBKMT2AMEN1
SCHEMBL1700196 0.94 MAPT (0.57) MAPTPKMPOLBKMT2AMEN1
SCHEMBL16038843 0.94 MAPT (0.61) MAPTPKMPOLBKMT2AMEN1
SCHEMBL523815 0.93 MAPT (0.59) MAPTPKMPOLBKMT2AMEN1
SCHEMBL29387647 0.93 MAPT (0.59) MAPTPKMPOLBKMT2AMEN1
SCHEMBL16038582 0.92 MAPT (0.63) MAPTPKMPOLBKMT2AMEN1

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-115484933-A Hot melt extrusion solid dispersions containing BCL2 inhibitors 广州麓鹏制药有限公司 2022-12-16 CN disclosed