SCHEMBL30687587

SCHEMBL30687587

CCOc1cc(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCCSc5ccccc5)c([N+](=O)[O-])c4)nn3)CC2)cc(-c2cccc(O)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BCL2L1 Q07817 20/20 0.49
▸ BCL2 P10415 14/20 0.49
▸ MCL1 Q07820 5/20 0.46
▸ BAK1 Q16611 1/20 0.45

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
SCHEMBL26680863 1.00 BCL2L1 (0.49) BCL2L1BCL2MCL1BAK1
SCHEMBL26681107 0.96 BCL2L1 (0.50) BCL2L1BCL2MCL1BAK1
SCHEMBL26682871 0.94 BCL2L1 (0.48) BCL2L1BCL2MCL1BAK1
SCHEMBL30687574 0.94 BCL2L1 (0.48) BCL2L1BCL2MCL1BAK1
SCHEMBL26681896 0.93 BCL2L1 (0.49) BCL2L1BCL2MCL1BAK1
SCHEMBL26682037 0.92 BCL2L1 (0.49) BCL2L1BCL2MCL1BAK1
SCHEMBL26680655 0.92 BCL2L1 (0.47) BCL2L1BCL2MCL1BAK1
SCHEMBL26681677 0.92 BCL2L1 (0.49) BCL2L1BCL2MCL1BAK1
SCHEMBL26682564 0.91 BCL2L1 (0.47) BCL2L1BCL2MCL1BAK1
SCHEMBL26683106 0.90 BCL2L1 (0.47) 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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