SCHEMBL29588137

SCHEMBL29588137

O=C(NS(=O)(=O)c1ccc(NCCC2CCN(C3COC3)CC2)c([N+](=O)[O-])c1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 20/20 0.56
BCL2 P10415 17/20 0.54
MCL1 Q07820 11/20 0.54

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
SCHEMBL29588224 0.92 BCL2L1 (0.53) BCL2L1BCL2MCL1
SCHEMBL30528147 0.88 BCL2L1 (0.62) BCL2L1BCL2MCL1
SCHEMBL30112782 0.85 ALDH3A1 (0.50) BCL2L1BCL2MCL1
SCHEMBL29588200 0.85 BCL2L1 (0.53) BCL2L1BCL2MCL1
SCHEMBL30921530 0.83 BCL2L1 (0.43) BCL2L1BCL2MCL1
SCHEMBL29589481 0.83 BCL2 (0.47) BCL2L1BCL2
SCHEMBL30421841 0.81 BCL2L1 (0.52) BCL2L1BCL2MCL1
SCHEMBL30112860 0.81 BCL2L1 (0.52) BCL2L1BCL2MCL1
SCHEMBL30365352 0.80 BCL2L1 (0.56) BCL2L1BCL2MCL1
SCHEMBL30112854 0.80 HRH1 (0.46) BCL2L1BCL2MCL1

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-114478520-B Bcl-2 protein apoptosis inducer and application thereof 杭州和正医药有限公司 2025-01-10 CN disclosed
CN-114478520-A Bcl-2 protein apoptosis inducer and application thereof 杭州和正医药有限公司 2022-05-13 CN disclosed