SCHEMBL3398579

SCHEMBL3398579

O=C(NS(=O)(=O)c1ccc(NC2CCN(C3CCOCC3)CC2)c([N+](=O)[O-])c1)c1ccccc1Oc1cccnc1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 14/20 0.53
BCL2L1 Q07817 2/20 0.52

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
SCHEMBL30314016 0.87 BCL2 (0.66) BCL2BCL2L1
SCHEMBL2499645 0.85 BCL2 (0.62) BCL2BCL2L1
SCHEMBL30314030 0.85 BCL2 (0.62) BCL2BCL2L1
SCHEMBL2484548 0.84 BCL2 (0.54) BCL2
SCHEMBL30314074 0.83 BCL2 (0.68) BCL2BCL2L1
SCHEMBL30313826 0.83 BCL2 (0.68) BCL2BCL2L1
SCHEMBL2725665 0.83 BCL2 (0.67) BCL2BCL2L1
SCHEMBL29796318 0.83 BCL2 (0.67) BCL2BCL2L1
SCHEMBL30313869 0.83 BCL2 (0.64) BCL2BCL2L1
SCHEMBL1871422 0.83 BCL2 (0.64) BCL2BCL2L1

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-2010065865-A2 BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-06-10 WO disclosed