SCHEMBL1871809

SCHEMBL1871809

COC1CCC(COc2ccc([S+]([O-])NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Oc3cnc4[nH]ccc4c3)cc2[N+](=O)[O-])CC1

nearest known ligand 0.74

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BCL2 P10415 18/20 0.74
▸ BCL2L1 Q07817 5/20 0.72
▸ MCL1 Q07820 1/20 0.72
▸ TMEM97 Q5BJF2 1/20 0.72
▸ BCL2L2 Q92843 1/20 0.72

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
SCHEMBL1869537 0.96 BCL2 (0.76) BCL2BCL2L1MCL1TMEM97BCL2L2
SCHEMBL1700179 0.91 BCL2 (0.89) BCL2BCL2L1MCL1TMEM97BCL2L2
SCHEMBL29657405 0.91 BCL2 (0.89) BCL2BCL2L1MCL1TMEM97BCL2L2
SCHEMBL1701495 0.91 BCL2 (0.89) BCL2BCL2L1MCL1TMEM97BCL2L2
SCHEMBL1700182 0.91 BCL2 (0.89) BCL2BCL2L1MCL1TMEM97BCL2L2
SCHEMBL1955823 0.88 BCL2 (0.71) BCL2
SCHEMBL19292332 0.87 BCL2 (0.83) BCL2BCL2L1MCL1TMEM97BCL2L2
SCHEMBL16908909 0.87 BCL2 (0.79) BCL2BCL2L1MCL1TMEM97BCL2L2
SCHEMBL1700720 0.86 BCL2 (0.92) BCL2BCL2L1MCL1TMEM97BCL2L2
SCHEMBL1700715 0.86 BCL2 (0.92) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2435432-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES Abbott Laboratories (US) 2012-04-04 — — EP disclosed
WO-2010138588-A9 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-05-05 — — WO disclosed
WO-2010138588-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-12-02 — — WO disclosed
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