SCHEMBL2727181

SCHEMBL2727181

CC1(C)CC(COc2ccc(S(=O)(=O)NC(=O)c3ccccc3Oc3cnc4[nH]ccc4c3)cc2[N+](=O)[O-])CCO1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BCL2 P10415 19/20 0.57
▸ BCL2L1 Q07817 14/20 0.57
▸ CYP2C9 P11712 1/20 0.54

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
SCHEMBL29657396 1.00 BCL2 (0.57) BCL2BCL2L1CYP2C9
SCHEMBL29796328 0.91 BCL2 (0.65) BCL2BCL2L1
SCHEMBL30313834 0.88 BCL2 (0.66) BCL2BCL2L1CYP2C9
SCHEMBL30314134 0.87 BCL2 (0.68) BCL2BCL2L1CYP2C9
SCHEMBL30313984 0.86 BCL2 (0.61) BCL2BCL2L1CYP2C9
SCHEMBL29657415 0.86 BCL2 (0.62) BCL2BCL2L1CYP2C9
SCHEMBL29796374 0.86 BCL2 (0.71) BCL2BCL2L1CYP2C9
SCHEMBL1872740 0.84 BCL2 (0.61) BCL2BCL2L1CYP2C9
SCHEMBL29796163 0.84 BCL2 (0.61) BCL2BCL2L1CYP2C9
SCHEMBL2727183 0.84 BCL2 (0.44) BCL2BCL2L1CYP2C9

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