SCHEMBL1957978

SCHEMBL1957978

CC1(C)CCC(CN2CCN(c3ccc(C(=O)N[S+]([O-])c4ccc(NC[C@H]5CN(C6CC6)CCO5)c([N+](=O)[O-])c4)c(Oc4cnc(N)c(Cl)c4)c3)CC2)=C(c2ccc(Cl)cc2)C1

nearest known ligand 0.84

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ BCL2 P10415 18/20 0.84

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
SCHEMBL1957196 0.96 BCL2 (0.78) BCL2
SCHEMBL1956351 0.96 BCL2 (0.78) BCL2
SCHEMBL1956111 0.92 BCL2 (0.76) BCL2
SCHEMBL1957042 0.91 BCL2 (1.00) BCL2
SCHEMBL3513203 0.91 BCL2 (1.00) BCL2
SCHEMBL8515424 0.90 BCL2 (0.76) BCL2
SCHEMBL1957199 0.88 BCL2 (0.93) BCL2
SCHEMBL1956355 0.88 BCL2 (0.93) BCL2
SCHEMBL1957919 0.87 BCL2 (0.66) BCL2
SCHEMBL1957271 0.87 BCL2 (0.64) 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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