SCHEMBL19939708

SCHEMBL19939708

NS(=O)(=O)c1ccc(NCC2(F)CCN(C3CCOCC3)CC2)c([N+](=O)[O-])c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.45
PKM P14618 4/20 0.45
POLB P06746 2/20 0.45
TDP1 Q9NUW8 2/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 6/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
MAPK1 P28482 2/20 0.40
HTT P42858 1/20 0.39
KDM4E B2RXH2 1/20 0.39
DOT1L Q8TEK3 1/20 0.39

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
SCHEMBL28526187 0.91 MAPT (0.49) MAPTPKMPOLBTDP1LMNA
SCHEMBL29482091 0.87 MAPT (0.53) MAPTPKMPOLBTDP1LMNA
SCHEMBL1699995 0.87 MAPT (0.53) MAPTPKMPOLBTDP1LMNA
SCHEMBL29750126 0.83 BCL2L1 (0.54)
SCHEMBL22581515 0.83 MAPT (0.54) MAPTPKMPOLBTDP1LMNA
SCHEMBL29482090 0.83 MAPT (0.54) MAPTPKMPOLBTDP1LMNA
SCHEMBL29034670 0.82 MAPT (0.52) MAPTPKMPOLBTDP1LMNA
SCHEMBL16038895 0.82 MAPT (0.54) MAPTPKMPOLBTDP1LMNA
SCHEMBL1700226 0.81 LMNA (0.48) MAPTPOLBLMNAKMT2AMEN1
SCHEMBL30467963 0.81 LMNA (0.48) MAPTPOLBLMNAKMT2AMEN1

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-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
WO-2018041248-A1 BCL-2 SELECTIVE INHIBITOR AND PREPARATION AND USE THEREOF 北京赛林泰医药技术有限公司 2018-03-08 WO disclosed