SCHEMBL28295037

SCHEMBL28295037

NS(=O)(=O)c1ccc(CCN2CCOCC2)c([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
POLB P06746 1/20 0.54
KMT2A Q03164 1/20 0.54
MAPT P10636 3/20 0.53
NPSR1 Q6W5P4 1/20 0.53
CA1 P00915 4/20 0.50
CA2 P00918 4/20 0.50
CA9 Q16790 4/20 0.50
CA12 O43570 2/20 0.50
KDM4E B2RXH2 2/20 0.50
CA7 P43166 1/20 0.50
HRH3 Q9Y5N1 1/20 0.49
ALDH1A1 P00352 2/20 0.48
PKM P14618 1/20 0.47
GAA P10253 2/20 0.47
CTSB P07858 1/20 0.46
VCAM1 P19320 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 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
SCHEMBL1958872 0.81 MAPT (0.62) POLBMAPTKDM4EPKMGAA
SCHEMBL29482111 0.81 MAPT (0.62) POLBMAPTKDM4EPKMGAA
SCHEMBL30468003 0.79 MAPT (0.72) MEN1POLBKMT2AMAPTNPSR1
SCHEMBL1699958 0.79 MAPT (0.72) MEN1POLBKMT2AMAPTNPSR1
SCHEMBL19939500 0.79 POLB (0.53) MEN1POLBKMT2AMAPTNPSR1
SCHEMBL28586443 0.78 POLB (0.54) MEN1POLBKMT2AMAPTNPSR1
SCHEMBL23064564 0.77 MEN1 (0.43) MEN1POLBKMT2AMAPTNPSR1
SCHEMBL3723081 0.77 SIGMAR1 (0.64) MEN1POLBKMT2AMAPTKDM4E
SCHEMBL16038620 0.76 MAPT (0.75) MEN1KMT2AMAPTCA1CA2
SCHEMBL1958532 0.74 MAPT (0.65) MEN1POLBKMT2AMAPTNPSR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109641897-B Bcl-2 selective inhibitors, their preparation and use 北京赛林泰医药技术有限公司 2021-12-07 CN disclosed
CN-109641897-A Bcl-2 selective depressant and its preparation and use 北京赛林泰医药技术有限公司 2019-04-16 CN disclosed
CN-109293656-A Bcl-2 selective depressant and its preparation and use 北京赛林泰医药技术有限公司 2019-02-01 CN disclosed