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SCHEMBL1111796

SCHEMBL1111796

COC1CC(Cc2cc(Cl)ccc2-c2ccccc2)CCN1c1nc(NS(=O)(=O)c2ccc(NCCSc3ccccc3)c([N+](=O)[O-])c2)c2ccccc2n1.CO[C@@H]1CC(Cc2cc(Cl)ccc2-c2ccccc2)CCN1c1nc(NS(=O)(=O)c2ccc(NC(CCN3CCOCC3)CSc3ccccc3)c([N+](=O)[O-])c2)c2ccccc2n1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BCL2 P10415 19/20 0.53
▸ BCL2L1 Q07817 18/20 0.53
▸ BCL2L2 Q92843 7/20 0.45
▸ MCL1 Q07820 1/20 0.44

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
Methyl Alcohol SCHEMBL1111801 0.84 BCL2 (0.72) BCL2BCL2L1BCL2L2
SCHEMBL1113150 0.83 BCL2 (0.61) BCL2BCL2L1BCL2L2MCL1
SCHEMBL1111956 0.80 BCL2 (0.79) BCL2BCL2L1BCL2L2
SCHEMBL1111952 0.80 BCL2 (0.79) BCL2BCL2L1BCL2L2
SCHEMBL1677782 0.75 BCL2 (0.86) BCL2BCL2L1BCL2L2MCL1
SCHEMBL1677778 0.75 BCL2 (0.86) BCL2BCL2L1BCL2L2MCL1
SCHEMBL1111857 0.73 BCL2 (0.90) BCL2BCL2L1BCL2L2MCL1
SCHEMBL1111860 0.73 BCL2 (0.90) BCL2BCL2L1BCL2L2MCL1
SCHEMBL1112237 0.72 BCL2 (0.84) BCL2BCL2L1BCL2L2MCL1
SCHEMBL1112230 0.72 BCL2 (0.84) 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