SCHEMBL2776802

SCHEMBL2776802

CN1CCC(Nc2ccc(S(=O)(=O)NC(=O)c3ccccc3Oc3cccc(F)c3F)cc2[N+](=O)[O-])CC1

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ BCL2 P10415 18/20 0.61

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
SCHEMBL1958105 0.88 BCL2 (0.59) BCL2
SCHEMBL2507851 0.86 BCL2 (0.54) BCL2
SCHEMBL1958805 0.85 BCL2 (0.62) BCL2
SCHEMBL2775444 0.85 BCL2 (0.60) BCL2
SCHEMBL30314083 0.81 BCL2 (0.61) BCL2
SCHEMBL1957515 0.81 BCL2 (0.61) BCL2
SCHEMBL1958971 0.80 ALDH3A1 (0.56) BCL2
SCHEMBL29657441 0.80 BCL2 (0.60) BCL2
SCHEMBL2724019 0.80 BCL2 (0.60) BCL2
SCHEMBL2481472 0.78 ALDH3A1 (0.49) 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
WO-2010065824-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-06-10 — — WO claimed
WO-2010065824-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-06-10 — — WO disclosed
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