SCHEMBL2776970

SCHEMBL2776970

CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cc(NC(=O)O)ncc4Br)c3)CC2)=C(c2ccc(Cl)cc2)C1

nearest known ligand 0.89

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ BCL2 P10415 18/20 0.89

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
SCHEMBL1958021 0.94 BCL2 (1.00) BCL2
SCHEMBL1956472 0.93 BCL2 (1.00) BCL2
SCHEMBL18486969 0.92 BCL2 (0.93) BCL2
SCHEMBL18486967 0.92 BCL2 (0.93) BCL2
SCHEMBL2777043 0.91 BCL2 (0.88) BCL2
SCHEMBL2774580 0.91 BCL2 (0.89) BCL2
SCHEMBL1956622 0.90 BCL2 (0.84) BCL2
SCHEMBL1959264 0.89 BCL2 (0.90) BCL2
SCHEMBL1956134 0.89 BCL2 (0.92) BCL2
SCHEMBL1956800 0.89 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010065824-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-06-10 — — WO disclosed
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