SCHEMBL1112404

SCHEMBL1112404

CN(C)CC[C@H](CSc1ccccc1)Nc1c([N+](=O)[O-])cc(S(=O)(=O)Nc2ncnc3cc(N4CCN(Cc5cc(Cl)ccc5-c5ccccc5)CC4)ccc23)cc1C(F)(F)F

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 17/20 0.74
BCL2L1 Q07817 16/20 0.74
BCL2L2 Q92843 6/20 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
SCHEMBL1112407 1.00 BCL2 (0.74) BCL2BCL2L1BCL2L2MDM4BCL2L11
SCHEMBL1678022 0.95 BCL2 (0.83) BCL2BCL2L1BCL2L2MDM4BCL2L11
SCHEMBL1678025 0.95 BCL2 (0.83) BCL2BCL2L1BCL2L2MDM4BCL2L11
SCHEMBL1112563 0.91 BCL2 (0.75) BCL2BCL2L1BCL2L2MDM4BCL2L11
SCHEMBL1112559 0.91 BCL2 (0.75) BCL2BCL2L1BCL2L2MDM4BCL2L11
SCHEMBL1111789 0.91 BCL2 (0.78) BCL2BCL2L1BCL2L2MDM4BCL2L11
SCHEMBL1111793 0.91 BCL2 (0.78) BCL2BCL2L1BCL2L2MDM4BCL2L11
SCHEMBL1111896 0.91 BCL2 (0.67) BCL2BCL2L1BCL2L2MDM4BCL2L11
SCHEMBL1111897 0.91 BCL2 (0.67) BCL2BCL2L1BCL2L2MDM4BCL2L11
SCHEMBL1111745 0.91 BCL2 (0.90) 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