SCHEMBL6985954

SCHEMBL6985954

CC(C)(C)OC[C@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(-c3ccc(F)cc3)cc2)cc1[N+](=O)[O-]

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 19/20 0.69
BCL2 P10415 14/20 0.69
BCL2L2 Q92843 7/20 0.69
MCL1 Q07820 2/20 0.60
AURKA O14965 1/20 0.56
PLK1 P53350 1/20 0.56
DYRK1A Q13627 1/20 0.56
MARK2 Q7KZI7 1/20 0.56
AURKB Q96GD4 1/20 0.56
PLK3 Q9H4B4 1/20 0.56
ALB P02768 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
SCHEMBL2950441 1.00 BCL2L1 (0.69) BCL2L1BCL2BCL2L2MCL1AURKA
SCHEMBL2952175 0.92 BCL2L1 (0.72) BCL2L1BCL2BCL2L2MCL1AURKA
SCHEMBL2947643 0.91 BCL2L1 (0.71) BCL2L1BCL2BCL2L2MCL1AURKA
SCHEMBL2943154 0.89 BCL2L1 (0.72) BCL2L1BCL2BCL2L2MCL1AURKA
SCHEMBL2948598 0.89 BCL2L1 (0.76) BCL2L1BCL2BCL2L2MCL1AURKA
SCHEMBL2946925 0.89 BCL2L1 (0.78) BCL2L1BCL2BCL2L2MCL1AURKA
SCHEMBL2946923 0.89 BCL2L1 (0.78) BCL2L1BCL2BCL2L2MCL1AURKA
SCHEMBL2941808 0.88 BCL2L1 (0.69) BCL2L1BCL2BCL2L2MCL1AURKA
SCHEMBL2945334 0.88 BCL2L1 (0.75) BCL2L1BCL2BCL2L2MCL1AURKA
SCHEMBL2943765 0.87 BCL2L1 (0.78) BCL2L1BCL2BCL2L2MCL1AURKA

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-1318978-A2 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS Abbott Laboratories (US) 2003-06-18 EP disclosed
WO-2002024636-A2 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2002-03-28 WO disclosed