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Sugi Predict / Compounds / SCHEMBL1111985

SCHEMBL1111985

SCHEMBL1111985

CC(C)(CSc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ncnc3cc(N4CCC(Cc5ccccc5-c5ccccc5)(OCCN5CCCC5)CC4)ccc23)cc1[N+](=O)[O-].O=[N+]([O-])c1cc(S(=O)(=O)Nc2ncnc3cc(N4CCC(Cc5ccccc5-c5ccccc5)(OCCN5CCCC5)CC4)ccc23)ccc1NCCSc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BCL2L1 Q07817 18/20 0.50
▸ BCL2 P10415 13/20 0.50
▸ BCL2L2 Q92843 3/20 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
SCHEMBL1677438 0.96 BCL2L1 (0.52) BCL2L1BCL2BCL2L2
SCHEMBL1677313 0.96 BCL2L1 (0.52) BCL2L1BCL2BCL2L2
SCHEMBL1678481 0.94 BCL2L1 (0.55) BCL2L1BCL2BCL2L2
SCHEMBL1113706 0.94 BCL2L1 (0.55) BCL2L1BCL2BCL2L2
SCHEMBL1677473 0.92 BCL2L1 (0.59) BCL2L1BCL2BCL2L2
SCHEMBL1112194 0.90 BCL2L1 (0.61) BCL2L1BCL2BCL2L2
SCHEMBL1677633 0.89 BCL2L1 (0.57) BCL2L1BCL2BCL2L2
SCHEMBL1678062 0.88 BCL2L1 (0.54) BCL2L1BCL2BCL2L2
SCHEMBL1678424 0.87 BCL2L1 (0.59) BCL2L1BCL2BCL2L2
SCHEMBL1677541 0.87 BCL2L1 (0.58) BCL2L1BCL2BCL2L2

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