SCHEMBL30622012

SCHEMBL30622012

CCC1(O)CCC(CNc2ccc(S(=O)(=O)c3cccc(C(N)=O)c3Oc3cnc4[nH]ccc4c3)cc2[N+](=O)[O-])CC1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 20/20 0.52
BCL2L1 Q07817 16/20 0.52
CYP2C9 P11712 1/20 0.47

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
SCHEMBL1870327 0.91 BCL2 (0.50) BCL2BCL2L1
SCHEMBL29486307 0.90 BCL2 (0.56) BCL2BCL2L1
SCHEMBL1872631 0.90 BCL2 (0.56) BCL2BCL2L1
SCHEMBL2724284 0.89 BCL2 (0.51) BCL2BCL2L1
SCHEMBL1868681 0.89 BCL2 (0.49) BCL2BCL2L1
SCHEMBL1871302 0.87 BCL2 (0.52) BCL2BCL2L1
SCHEMBL30621998 0.86 BCL2 (0.52) BCL2BCL2L1CYP2C9
SCHEMBL2724349 0.85 BCL2 (0.48) BCL2BCL2L1
SCHEMBL2725177 0.83 BCL2 (0.54) BCL2BCL2L1
SCHEMBL2727377 0.83 BCL2 (0.54) 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
EP-2435432-B3 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE IRELAND UNLIMITED CO (BM) 2023-10-25 EP disclosed