SCHEMBL31286232

SCHEMBL31286232

NS(=O)(=O)c1ccc(NCC2(O)COC2)c([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.56
PKM P14618 5/20 0.56
POLB P06746 3/20 0.56
SMN1; SMN2 Q16637 1/20 0.53
GAA P10253 3/20 0.51
KMT2A Q03164 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
DOT1L Q8TEK3 1/20 0.47
GFER P55789 1/20 0.46
MAPK1 P28482 2/20 0.45
LMNA P02545 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
VCAM1 P19320 1/20 0.45
MCL1 Q07820 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
SCHEMBL16037626 1.00 MAPT (0.56) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL16039288 0.95 MAPT (0.54) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL16039835 0.90 MAPT (0.53) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL16037346 0.86 MAPT (0.54) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL16037529 0.85 MAPT (0.59) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL16039403 0.85 MAPT (0.53) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL2481803 0.83 MAPT (0.54) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL1700332 0.81 MAPT (0.54) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL16038895 0.81 MAPT (0.54) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL1960069 0.81 MAPT (0.51) 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
CN-119053610-A 1,3,4, 7-Tetrahydro-2H-pyrrolo [3',2':5,6] pyrido [2,3-b ] [1,4] oxazepine Bcl-2 inhibitors 艾伯维公司 2024-11-29 CN disclosed