SCHEMBL1112260

SCHEMBL1112260

O=[N+]([O-])c1cc(S(=O)(=O)Nc2ncnc3cc(N4CCN(Cc5cc(Cl)ccc5-c5ccccc5)CC4)ccc23)ccc1N[C@H](CCN1CCOCC1)CSc1ccc(Cl)cc1

nearest known ligand 0.89

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 19/20 0.89
BCL2L1 Q07817 14/20 0.89
BCL2L2 Q92843 4/20 0.74
MDM4 O15151 1/20 0.54
BCL2L11 O43521 1/20 0.54
TP53 P04637 1/20 0.54
BID P55957 1/20 0.54
BAX Q07812 1/20 0.54
MCL1 Q07820 1/20 0.54
ASPH Q12797 1/20 0.54
BECN1 Q14457 1/20 0.54
BAK1 Q16611 1/20 0.54
BAD Q92934 1/20 0.54
BBC3 Q9BXH1 1/20 0.54

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
SCHEMBL1112265 1.00 BCL2 (0.89) BCL2BCL2L1BCL2L2MDM4BCL2L11
SCHEMBL1111857 0.98 BCL2 (0.90) BCL2BCL2L1BCL2L2MDM4BCL2L11
SCHEMBL1111860 0.98 BCL2 (0.90) BCL2BCL2L1BCL2L2MDM4BCL2L11
SCHEMBL1112237 0.97 BCL2 (0.84) BCL2BCL2L1BCL2L2MDM4BCL2L11
SCHEMBL1112230 0.97 BCL2 (0.84) BCL2BCL2L1BCL2L2MDM4BCL2L11
SCHEMBL1111904 0.97 BCL2 (0.84) BCL2BCL2L1BCL2L2
SCHEMBL1111901 0.97 BCL2 (0.84) BCL2BCL2L1BCL2L2
SCHEMBL1112415 0.95 BCL2L1 (0.81) BCL2BCL2L1BCL2L2MDM4BCL2L11
SCHEMBL1112411 0.95 BCL2L1 (0.81) BCL2BCL2L1BCL2L2MDM4BCL2L11
SCHEMBL1677461 0.95 BCL2 (0.97) BCL2BCL2L1BCL2L2MDM4BCL2L11

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