SCHEMBL29034670

SCHEMBL29034670

NS(=O)(=O)c1ccc(NCC2(F)CCOC2)c([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.52
PKM P14618 4/20 0.52
POLB P06746 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.49
TDP1 Q9NUW8 2/20 0.46
GAA P10253 4/20 0.45
KMT2A Q03164 2/20 0.45
DOT1L Q8TEK3 1/20 0.44
LMNA P02545 2/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
MEN1 O00255 1/20 0.41
VCAM1 P19320 1/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
MCL1 Q07820 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
SCHEMBL1699995 0.94 MAPT (0.53) MAPTPKMPOLBSMN1; SMN2TDP1
SCHEMBL29482091 0.94 MAPT (0.53) MAPTPKMPOLBSMN1; SMN2TDP1
SCHEMBL16038895 0.93 MAPT (0.54) MAPTPKMPOLBSMN1; SMN2TDP1
SCHEMBL28440217 0.90 MAPT (0.51) MAPTPKMPOLBSMN1; SMN2TDP1
SCHEMBL1700332 0.84 MAPT (0.54) MAPTPKMPOLBSMN1; SMN2TDP1
SCHEMBL29589101 0.83 MAPT (0.53) MAPTPKMPOLBSMN1; SMN2TDP1
SCHEMBL16037480 0.83 MAPT (0.56) MAPTPKMPOLBSMN1; SMN2TDP1
SCHEMBL16039835 0.83 MAPT (0.53) MAPTPKMPOLBSMN1; SMN2TDP1
Hydrochloric Acid SCHEMBL22581377 0.82 MAPT (0.52) MAPTPKMPOLBSMN1; SMN2TDP1
Hydrochloric Acid SCHEMBL29482106 0.82 MAPT (0.52) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116621860-A Bcl-2 inhibitors 广州麓鹏制药有限公司 2023-08-22 CN disclosed
CN-111511748-B Bcl-2 inhibitors 广州麓鹏制药有限公司 2023-05-02 CN disclosed