SCHEMBL1112349

SCHEMBL1112349

O=[N+]([O-])c1cc(S(=O)(=O)Nc2ncnc3cc(C4=CCN(Cc5cc(Cl)ccc5-c5ccccc5)CC4)ccc23)ccc1NC(CCN1CCOCC1)CSc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 19/20 0.73
BCL2L1 Q07817 16/20 0.73
BCL2L2 Q92843 9/20 0.60
MCL1 Q07820 1/20 0.49

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
SCHEMBL1112346 1.00 BCL2 (0.73) BCL2BCL2L1BCL2L2MCL1
SCHEMBL1677491 0.95 BCL2 (0.80) BCL2BCL2L1BCL2L2MCL1
SCHEMBL1677493 0.95 BCL2 (0.80) BCL2BCL2L1BCL2L2MCL1
SCHEMBL1112261 0.91 BCL2 (0.73) BCL2BCL2L1BCL2L2MCL1
SCHEMBL1112258 0.91 BCL2 (0.73) BCL2BCL2L1BCL2L2MCL1
SCHEMBL1111857 0.89 BCL2 (0.90) BCL2BCL2L1BCL2L2MCL1
SCHEMBL1111860 0.89 BCL2 (0.90) BCL2BCL2L1BCL2L2MCL1
SCHEMBL1677562 0.87 BCL2 (0.75) BCL2BCL2L1BCL2L2MCL1
SCHEMBL1677563 0.87 BCL2 (0.75) BCL2BCL2L1BCL2L2MCL1
SCHEMBL1112265 0.87 BCL2 (0.89) BCL2BCL2L1BCL2L2MCL1

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-2279174-A2 ARYLSULFONAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE Genentech, Inc. (US) 2011-02-02 EP disclosed
WO-2009143246-A2 ARYLSULFONAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2009-11-26 WO disclosed