SCHEMBL30489356

SCHEMBL30489356

O=C(NS(=O)(=O)c1cc(F)c(NCC2CCOCC2)c([N+](=O)[O-])c1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 13/20 0.46
BCL2 P10415 13/20 0.44
MCL1 Q07820 7/20 0.44
BCL2L2 Q92843 2/20 0.43
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
FBP1 P09467 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
SCHEMBL1955748 0.85 BCL2L1 (0.59) BCL2L1BCL2MCL1MAPTMAPK1
SCHEMBL30112805 0.82 BCL2L1 (0.46) BCL2L1BCL2MCL1FBP1
SCHEMBL29855685 0.80 BCL2L1 (0.58) BCL2L1BCL2MCL1BCL2L2
SCHEMBL29777517 0.79 CA12 (0.42) MAPT
SCHEMBL25214997 0.79 CA12 (0.42) MAPT
SCHEMBL30112966 0.78 MAPT (0.51) BCL2L1BCL2MCL1MAPTMAPK1
SCHEMBL30528147 0.78 BCL2L1 (0.62) BCL2L1BCL2MCL1
SCHEMBL30414565 0.77 BCL2 (0.38) BCL2L1BCL2MCL1MAPTMAPK1
SCHEMBL30921514 0.77 BCL2L1 (0.45) BCL2L1BCL2MCL1FBP1
SCHEMBL1958802 0.77 BCL2L1 (0.48) BCL2L1BCL2MCL1BCL2L2FBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116419753-A Heterocyclic compounds as BCL-2 inhibitors 北京诺诚健华医药科技有限公司 2023-07-11 CN disclosed