SCHEMBL6989172

SCHEMBL6989172

O=C(NS(=O)(=O)c1ccc(NCCSc2ccccc2)c([N+](=O)[O-])c1)c1ccc(C2=CCNC(C(=O)c3ccccn3)C2)cc1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 19/20 0.61
BAK1 Q16611 1/20 0.61
BCL2 P10415 15/20 0.61
MCL1 Q07820 10/20 0.60
AURKA O14965 1/20 0.53
PLK1 P53350 1/20 0.53
DYRK1A Q13627 1/20 0.53
MARK2 Q7KZI7 1/20 0.53
AURKB Q96GD4 1/20 0.53
PLK3 Q9H4B4 1/20 0.53

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
SCHEMBL2949366 0.82 BCL2L1 (0.63) BCL2L1BAK1BCL2MCL1AURKA
SCHEMBL2943845 0.81 BCL2L1 (0.72) BCL2L1BAK1BCL2MCL1AURKA
SCHEMBL2951098 0.80 BCL2L1 (0.69) BCL2L1BAK1BCL2MCL1AURKA
SCHEMBL2952759 0.79 BCL2L1 (0.90) BCL2L1BAK1BCL2MCL1AURKA
SCHEMBL2943850 0.79 BCL2L1 (0.74) BCL2L1BAK1BCL2MCL1AURKA
SCHEMBL2951197 0.78 BCL2L1 (0.69) BCL2L1BAK1BCL2MCL1AURKA
SCHEMBL10222702 0.78 BCL2L1 (0.93) BCL2L1BAK1BCL2MCL1AURKA
SCHEMBL29793079 0.78 BCL2L1 (0.93) BCL2L1BAK1BCL2MCL1AURKA
SCHEMBL2949679 0.77 BCL2L1 (0.65) BCL2L1BCL2MCL1
SCHEMBL2944351 0.77 BCL2L1 (1.00) BCL2L1BAK1BCL2MCL1AURKA

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