SCHEMBL26683154

SCHEMBL26683154

CCOc1cccc(-c2csc(C(=O)N3CCN(c4ccc(C(=O)NS(=O)(=O)c5ccc(NCCSc6ccccc6)c([N+](=O)[O-])c5)cc4)CC3)c2)c1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BCL2L1 Q07817 20/20 0.67
▸ BCL2 P10415 16/20 0.65
▸ MCL1 Q07820 9/20 0.54
▸ BAK1 Q16611 1/20 0.49

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
SCHEMBL26683101 0.94 BCL2L1 (0.65) BCL2L1BCL2MCL1BAK1
SCHEMBL26680982 0.91 BCL2L1 (0.70) BCL2L1BCL2MCL1
SCHEMBL26682281 0.90 BCL2L1 (0.53) BCL2L1BCL2MCL1
SCHEMBL27202063 0.90 BCL2L1 (0.64) BCL2L1BCL2MCL1
SCHEMBL26683035 0.89 BCL2L1 (0.52) BCL2L1BCL2MCL1BAK1
SCHEMBL26682161 0.88 BCL2L1 (0.67) BCL2L1BCL2MCL1BAK1
SCHEMBL26683061 0.88 BCL2L1 (0.68) BCL2L1BCL2MCL1
SCHEMBL26682832 0.88 BCL2L1 (0.68) BCL2L1BCL2MCL1
SCHEMBL26682612 0.88 BCL2L1 (0.66) BCL2L1BCL2MCL1
SCHEMBL26681494 0.87 BCL2L1 (0.67) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4279476-A1 METHOD FOR ALKYLATING ACIDIC FUNCTIONAL GROUP CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-11-22 — — EP disclosed
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