SCHEMBL31058008

SCHEMBL31058008

[2H]C1([2H])CC2(CC(OC)(OC)C2)CC([2H])([2H])N1c1ccc(C(=O)OC)c(Oc2cnc3[nH]ccc3c2)c1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 17/20 0.43
BCL2L1 Q07817 3/20 0.43
BCL2A1 Q16548 3/20 0.39
BID P55957 2/20 0.38
MCL1 Q07820 2/20 0.38

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
SCHEMBL30154391 0.93 BCL2A1 (0.44) BCL2BCL2L1BCL2A1BIDMCL1
SCHEMBL23323052 0.92 BCL2 (0.46) BCL2BCL2L1BCL2A1
SCHEMBL30658683 0.92 BCL2 (0.46) BCL2BCL2L1BCL2A1
SCHEMBL30313985 0.85 BCL2 (0.47) BCL2BCL2L1BCL2A1BIDMCL1
SCHEMBL24854062 0.85 BCL2 (0.44) BCL2BCL2L1BCL2A1BIDMCL1
SCHEMBL30415477 0.81 BCL2 (0.55) BCL2BCL2L1BCL2A1
SCHEMBL23323413 0.81 BCL2 (0.55) BCL2BCL2L1BCL2A1
SCHEMBL25204580 0.80 BCL2 (0.47) BCL2BCL2L1BCL2A1BIDMCL1
SCHEMBL31697992 0.80 BCL2 (0.45) BCL2BCL2L1
SCHEMBL1702063 0.80 BCL2 (0.50) BCL2BCL2L1BCL2A1BIDMCL1

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
CN-114929689-B Bcl-2 inhibitors 百济神州有限公司 2024-08-27 CN disclosed