SCHEMBL1869170

SCHEMBL1869170

CC1(C)CCC(CN2CCN(c3ccc(C(=O)N[S+]([O-])c4cnc(OCC5(F)CCN(C(CF)CF)CC5)c(C(F)(F)F)c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1

nearest known ligand 0.82

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ BCL2 P10415 19/20 0.82
▸ BCL2L1 Q07817 1/20 0.60

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
SCHEMBL1701445 0.90 BCL2 (1.00) BCL2
SCHEMBL1868297 0.87 BCL2 (0.81) BCL2BCL2L1
SCHEMBL30313849 0.85 BCL2 (0.90) BCL2
SCHEMBL1701545 0.85 BCL2 (0.90) BCL2
SCHEMBL1699827 0.82 BCL2 (1.00) BCL2BCL2L1
SCHEMBL8538394 0.81 BCL2 (0.71) BCL2BCL2L1
SCHEMBL1957594 0.81 BCL2 (1.00) BCL2
SCHEMBL1701566 0.80 BCL2 (1.00) BCL2BCL2L1
SCHEMBL31344618 0.80 BCL2 (1.00) BCL2BCL2L1
SCHEMBL16638138 0.79 BCL2 (0.79) 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-2010138588-A9 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-05-05 — — WO disclosed
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