SCHEMBL1956650

SCHEMBL1956650

CN(C)CCCNc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(CC4=C(c5ccc(Cl)cc5)CC(C)(C)CC4)CC3)cc2Oc2ccc3c(c2)cc(C(C)(C)C)n3C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.80

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ BCL2 P10415 9/20 0.80

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
SCHEMBL1956655 1.00 BCL2 (0.80) BCL2
SCHEMBL1956651 0.89 BCL2 (1.00) BCL2
SCHEMBL1955988 0.89 BCL2 (1.00) BCL2
SCHEMBL1956295 0.89 BCL2 (1.00) BCL2
SCHEMBL1955964 0.88 BCL2 (0.87) BCL2
SCHEMBL1959042 0.88 BCL2 (1.00) BCL2
Trifluoroacetic Acid SCHEMBL2502990 0.87 BCL2 (0.95) BCL2
SCHEMBL1956455 0.86 BCL2 (1.00) BCL2
SCHEMBL1959736 0.85 BCL2 (1.00) BCL2
SCHEMBL1958318 0.84 BCL2 (0.81) BCL2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2507211-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES Abbott Laboratories (US) 2012-10-10 — — EP disclosed
WO-2011068560-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-06-09 — — WO disclosed
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