SCHEMBL13906743

SCHEMBL13906743

CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCC(N(Cc4ccccc4)C(=O)c4ccccc4)CC3)cc2)cc1[N+](=O)[O-]

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BCL2L1 Q07817 20/20 0.76
▸ BCL2 P10415 14/20 0.76
▸ BCL2L2 Q92843 2/20 0.74
▸ ALB P02768 1/20 0.74

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
SCHEMBL3954119 1.00 BCL2L1 (0.76) BCL2L1BCL2BCL2L2ALB
SCHEMBL3957485 0.95 BCL2L1 (0.77) BCL2L1BCL2BCL2L2ALB
SCHEMBL13906742 0.95 BCL2L1 (0.77) BCL2L1BCL2BCL2L2ALB
SCHEMBL3958388 0.93 BCL2L1 (0.79) BCL2L1BCL2BCL2L2ALB
SCHEMBL13906739 0.93 BCL2L1 (0.79) BCL2L1BCL2BCL2L2ALB
SCHEMBL19425592 0.92 BCL2L1 (0.62) BCL2L1BCL2BCL2L2ALB
SCHEMBL13906748 0.89 BCL2L1 (0.79) BCL2L1BCL2BCL2L2ALB
SCHEMBL3956718 0.89 BCL2L1 (0.79) BCL2L1BCL2BCL2L2ALB
SCHEMBL19425645 0.86 BCL2L1 (0.63) BCL2L1BCL2BCL2L2ALB
SCHEMBL13906747 0.85 BCL2L1 (0.74) BCL2L1BCL2BCL2L2ALB

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
WO-2009036035-A1 BCL-2 INHIBITORS CURIS, INC. (US) 2009-03-19 — — WO disclosed
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