SCHEMBL30451856

SCHEMBL30451856

NS(=O)(=O)c1ccc(NCC2CCNC2)c([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.53
PKM P14618 5/20 0.53
POLB P06746 2/20 0.53
TDP1 Q9NUW8 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
HTT P42858 3/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
GAA P10253 5/20 0.46
NPSR1 Q6W5P4 3/20 0.45
DOT1L Q8TEK3 1/20 0.45
MAPK1 P28482 3/20 0.44
LMNA P02545 3/20 0.44
XBP1 P17861 1/20 0.44
RECQL P46063 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
SCHEMBL29017803 1.00 MAPT (0.53) MAPTPKMPOLBTDP1SMN1; SMN2
SCHEMBL1700546 0.93 MAPT (0.52) MAPTPKMPOLBTDP1SMN1; SMN2
Hydrochloric Acid SCHEMBL28666327 0.92 MAPT (0.54) MAPTPKMPOLBTDP1SMN1; SMN2
Tert-Butyl Formate SCHEMBL27935409 0.84 MAPT (0.45) MAPTPKMPOLBTDP1SMN1; SMN2
SCHEMBL1541487 0.83 MAPT (0.64) MAPTPKMPOLBTDP1SMN1; SMN2
SCHEMBL523815 0.82 MAPT (0.59) MAPTPKMPOLBTDP1SMN1; SMN2
SCHEMBL1956219 0.82 MAPT (0.56) MAPTPKMPOLBTDP1SMN1; SMN2
SCHEMBL1956216 0.82 MAPT (0.56) MAPTPKMPOLBTDP1SMN1; SMN2
SCHEMBL29387647 0.82 MAPT (0.59) MAPTPKMPOLBTDP1SMN1; SMN2
Hydrochloric Acid SCHEMBL6092 0.81 CHRM3 (0.41) MAPTSMN1; SMN2HTTALDH1A1KMT2A

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-116270660-A Bcl-2/Bcl-xl inhibitor-containing composition and preparation method and application thereof 广州麓鹏制药有限公司 2023-06-23 CN disclosed
CN-116236583-A Bcl-2/Bcl-xl inhibitor-containing composition and preparation method and application thereof 广州麓鹏制药有限公司 2023-06-09 CN disclosed