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SCHEMBL8537858

SCHEMBL8537858

COC1CCC(CNc2ccc([S+]([O-])NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Oc3cccc4[nH]nc(N)c34)cc2[N+](=O)[O-])CC1

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BCL2 P10415 7/20 0.65
▸ BCL2L1 Q07817 1/20 0.62
▸ MCL1 Q07820 1/20 0.62
▸ TMEM97 Q5BJF2 1/20 0.62
▸ BCL2L2 Q92843 1/20 0.62

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
SCHEMBL1958733 0.91 BCL2 (0.79) BCL2BCL2L1MCL1TMEM97BCL2L2
SCHEMBL3513752 0.91 BCL2 (0.79) BCL2BCL2L1MCL1TMEM97BCL2L2
SCHEMBL1957412 0.85 BCL2 (0.85) BCL2
SCHEMBL19424509 0.85 BCL2 (0.69) BCL2BCL2L1MCL1TMEM97BCL2L2
SCHEMBL1954857 0.82 BCL2 (0.78) BCL2BCL2L1MCL1TMEM97BCL2L2
SCHEMBL1954859 0.82 BCL2 (0.78) BCL2BCL2L1MCL1TMEM97BCL2L2
SCHEMBL1955310 0.82 BCL2 (0.78) BCL2BCL2L1MCL1TMEM97BCL2L2
SCHEMBL1955306 0.82 BCL2 (0.78) BCL2BCL2L1MCL1TMEM97BCL2L2
SCHEMBL1957271 0.81 BCL2 (0.64) BCL2
SCHEMBL1959144 0.81 BCL2 (0.74) BCL2BCL2L1MCL1TMEM97BCL2L2

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-2642999-A1 METHODS OF TREATMENT USING SELECTIVE BCL-2 INHIBITORS AbbVie Inc. (US) 2013-10-02 — — EP disclosed
WO-2012071374-A1 METHODS OF TREATMENT USING SELECTIVE BCL-2 INHIBITORS ABBOTT LABORATORIES (US) 2012-05-31 — — WO disclosed
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