SCHEMBL30687902

SCHEMBL30687902

O=C(NS(=O)(=O)c1ccc(NCCSc2ccccc2)c([N+](=O)[O-])c1)c1ccc(N2CCN(C(=O)CCc3ccccc3-c3cncc(O)c3)CC2)nn1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BCL2L1 Q07817 20/20 0.53
▸ BCL2 P10415 16/20 0.51
▸ MCL1 Q07820 10/20 0.48
▸ BAK1 Q16611 1/20 0.46

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
SCHEMBL26680694 1.00 BCL2L1 (0.53) BCL2L1BCL2MCL1BAK1
SCHEMBL26680460 0.93 BCL2L1 (0.54) BCL2L1BCL2MCL1BAK1
SCHEMBL30687586 0.93 BCL2L1 (0.54) BCL2L1BCL2MCL1BAK1
SCHEMBL26682146 0.92 BCL2L1 (0.51) BCL2L1BCL2MCL1
SCHEMBL26657523 0.91 BCL2L1 (0.51) BCL2L1BCL2MCL1BAK1
SCHEMBL26683038 0.90 BCL2L1 (0.45) BCL2L1BCL2MCL1
SCHEMBL26681601 0.89 BCL2L1 (0.68) BCL2L1BCL2MCL1BAK1
SCHEMBL26681106 0.88 BCL2L1 (0.53) BCL2L1BCL2MCL1
SCHEMBL30687884 0.88 BCL2L1 (0.53) BCL2L1BCL2MCL1
SCHEMBL26681941 0.87 BCL2L1 (0.49) 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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