SCHEMBL26683101

SCHEMBL26683101

CCOc1cncc(-c2csc(C(=O)N3CCN(c4ccc(C(=O)NS(=O)(=O)c5ccc(NCCSc6ccccc6)c([N+](=O)[O-])c5)cc4)CC3)c2)c1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BCL2L1 Q07817 20/20 0.65
▸ BCL2 P10415 15/20 0.63
▸ MCL1 Q07820 7/20 0.52
▸ 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
SCHEMBL26683154 0.94 BCL2L1 (0.67) BCL2L1BCL2MCL1BAK1
SCHEMBL26681560 0.91 BCL2L1 (0.67) BCL2L1BCL2MCL1BAK1
SCHEMBL26681696 0.91 BCL2L1 (0.51) BCL2L1BCL2MCL1BAK1
SCHEMBL26683046 0.90 BCL2L1 (0.62) BCL2L1BCL2MCL1BAK1
SCHEMBL26682662 0.90 BCL2L1 (0.51) BCL2L1BCL2MCL1BAK1
SCHEMBL26681258 0.88 BCL2L1 (0.65) BCL2L1BCL2MCL1BAK1
SCHEMBL26681864 0.88 BCL2L1 (0.66) BCL2L1BCL2MCL1
SCHEMBL26680271 0.88 BCL2L1 (0.66) BCL2L1BCL2MCL1
SCHEMBL26681835 0.88 BCL2L1 (0.64) BCL2L1BCL2MCL1BAK1
SCHEMBL26680666 0.87 BCL2L1 (0.69) BCL2L1BCL2MCL1BAK1

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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