SCHEMBL161869

SCHEMBL161869

CCCN(CSc1cccc(N(C)C)c1)c1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2)cc1[N+](=O)[O-]

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 13/20 0.63
BCL2 P10415 8/20 0.63
MDM4 O15151 1/20 0.63
BCL2L11 O43521 1/20 0.63
TP53 P04637 1/20 0.63
BID P55957 1/20 0.63
BAX Q07812 1/20 0.63
MCL1 Q07820 1/20 0.63
ASPH Q12797 1/20 0.63
BECN1 Q14457 1/20 0.63
BAK1 Q16611 1/20 0.63
BCL2L2 Q92843 1/20 0.63
BAD Q92934 1/20 0.63
BBC3 Q9BXH1 1/20 0.63
HDAC3 O15379 5/20 0.60
HDAC4 P56524 5/20 0.60
HDAC1 Q13547 5/20 0.60
HDAC7 Q8WUI4 5/20 0.60
HDAC2 Q92769 5/20 0.60
HDAC10 Q969S8 5/20 0.60

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
SCHEMBL18274765 0.85 BCL2L1 (0.79) BCL2L1BCL2MDM4BCL2L11TP53
SCHEMBL1540247 0.84 BCL2 (0.63) BCL2L1BCL2MDM4BCL2L11TP53
SCHEMBL18229918 0.80 BCL2L1 (0.74) BCL2L1BCL2MDM4BCL2L11TP53
SCHEMBL2388437 0.80 BCL2 (0.71) BCL2L1BCL2MDM4BCL2L11TP53
SCHEMBL29003406 0.79 BCL2L1 (0.81) BCL2L1BCL2MDM4BCL2L11TP53
SCHEMBL19503787 0.79 BCL2L1 (0.89) BCL2L1BCL2MDM4BCL2L11TP53
SCHEMBL1540547 0.79 BCL2L1 (0.69) BCL2L1BCL2MDM4BCL2L11TP53
SCHEMBL1541470 0.78 BCL2L1 (0.84) BCL2L1BCL2MDM4BCL2L11TP53
SCHEMBL1540499 0.78 BCL2L1 (0.89) BCL2L1BCL2MDM4BCL2L11TP53
SCHEMBL1540937 0.78 BCL2L1 (0.79) BCL2L1BCL2MDM4BCL2L11TP53

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
WO-2012031103-A2 INHIBITORS OF BCL-2 CASE WESTERN RESERVE UNIVERSITY (US) 2012-03-08 WO claimed
WO-2012031103-A2 INHIBITORS OF BCL-2 CASE WESTERN RESERVE UNIVERSITY (US) 2012-03-08 WO disclosed