SCHEMBL29139957

SCHEMBL29139957

CC1(C)OCCC(CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1(C)C

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 15/20 0.52
PKM P14618 6/20 0.52
POLB P06746 3/20 0.52
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
NPSR1 Q6W5P4 2/20 0.47
LMNA P02545 2/20 0.47
MAPK1 P28482 2/20 0.47
TDP1 Q9NUW8 2/20 0.46
GAA P10253 6/20 0.45
HTT P42858 1/20 0.45
DUSP3 P51452 1/20 0.42
PTPN5 P54829 1/20 0.42
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
PTPN11 Q06124 1/20 0.42
MCL1 Q07820 1/20 0.42

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
SCHEMBL16038295 0.82 MAPT (0.52) MAPTPKMPOLBKMT2AMEN1
SCHEMBL16037364 0.82 MAPT (0.52) MAPTPKMPOLBKMT2AMEN1
SCHEMBL16037367 0.82 MAPT (0.52) MAPTPKMPOLBKMT2AMEN1
SCHEMBL30075005 0.79 MAPT (0.60) MAPTPKMPOLBKMT2AMEN1
SCHEMBL16037476 0.79 MAPT (0.60) MAPTPKMPOLBKMT2AMEN1
SCHEMBL1699987 0.79 MAPT (0.60) MAPTPKMPOLBKMT2AMEN1
SCHEMBL523815 0.79 MAPT (0.59) MAPTPKMPOLBKMT2AMEN1
SCHEMBL29387647 0.79 MAPT (0.59) MAPTPKMPOLBKMT2AMEN1
SCHEMBL17071336 0.78 MAPT (0.56) MAPTPKMPOLBKMT2AMEN1
SCHEMBL16038916 0.78 MAPT (0.53) MAPTPKMPOLBKMT2AMEN1

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-117683029-A Bcl-2 inhibitors 百济神州有限公司 2024-03-12 CN disclosed
CN-117430601-A Bcl-2 inhibitors 百济神州有限公司 2024-01-23 CN disclosed
CN-112437772-B Bcl-2 inhibitors 百济神州有限公司 2023-11-21 CN disclosed