SCHEMBL30687632

SCHEMBL30687632

COc1cc(-c2cncc(O)c2)cc(OC)c1CN1CCN(c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCSc4ccccc4)c([N+](=O)[O-])c3)nn2)CC1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BCL2L1 Q07817 20/20 0.50
▸ BCL2 P10415 16/20 0.50
▸ MCL1 Q07820 4/20 0.48

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
SCHEMBL26681723 1.00 BCL2L1 (0.50) BCL2L1BCL2MCL1
SCHEMBL26681612 0.93 BCL2L1 (0.50) BCL2L1BCL2MCL1
SCHEMBL30687567 0.93 BCL2L1 (0.50) BCL2L1BCL2MCL1
SCHEMBL26681982 0.93 BCL2L1 (0.51) BCL2L1BCL2MCL1
SCHEMBL30687664 0.93 BCL2L1 (0.51) BCL2L1BCL2MCL1
SCHEMBL26681235 0.92 BCL2L1 (0.48) BCL2L1BCL2MCL1
SCHEMBL30687648 0.90 BCL2L1 (0.43) BCL2L1BCL2MCL1
SCHEMBL26681573 0.90 BCL2L1 (0.43) BCL2L1BCL2MCL1
SCHEMBL26681787 0.89 BCL2L1 (0.64) BCL2L1BCL2MCL1
SCHEMBL26682835 0.89 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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