SCHEMBL1955013

SCHEMBL1955013

O=C(N[S+]([O-])c1ccc(NC2CCC(N3CCOCC3)CC2)c([N+](=O)[O-])c1)c1ccc(N2CCN(CC3=C(c4ccc(Cl)cc4)CCOCC3)CC2)cc1Oc1cc2cc[nH]c2cc1Cl

nearest known ligand 0.82

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ BCL2 P10415 18/20 0.82

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
SCHEMBL1958129 0.94 BCL2 (0.83) BCL2
SCHEMBL1957523 0.92 BCL2 (0.83) BCL2
SCHEMBL1955014 0.90 BCL2 (1.00) BCL2
SCHEMBL1956489 0.90 BCL2 (1.00) BCL2
SCHEMBL1959527 0.89 BCL2 (0.84) BCL2
SCHEMBL1959158 0.87 BCL2 (0.84) BCL2
SCHEMBL1954866 0.85 BCL2 (0.72) BCL2
SCHEMBL1957867 0.84 BCL2 (0.83) BCL2
SCHEMBL1957242 0.84 BCL2 (1.00) BCL2
SCHEMBL1957239 0.84 BCL2 (1.00) 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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