SCHEMBL19504137

SCHEMBL19504137

CCN(C)CC[C@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ncnc3cc(N4CCN(CC5=C(c6ccc(Cl)cc6)CCC(C)(C)C5)CC4)ccc23)cc1[N+](=O)[O-]

nearest known ligand 0.92

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 18/20 0.92
BCL2L1 Q07817 14/20 0.92
BCL2L2 Q92843 5/20 0.92
BAD Q92934 2/20 0.69
MDM4 O15151 1/20 0.52
BCL2L11 O43521 1/20 0.52
TP53 P04637 1/20 0.52
BID P55957 1/20 0.52
BAX Q07812 1/20 0.52
MCL1 Q07820 1/20 0.52
ASPH Q12797 1/20 0.52
BECN1 Q14457 1/20 0.52
BAK1 Q16611 1/20 0.52
BBC3 Q9BXH1 1/20 0.52
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52

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
SCHEMBL1111911 0.96 BCL2 (1.00) BCL2BCL2L1BCL2L2BADMDM4
SCHEMBL1111915 0.96 BCL2 (1.00) BCL2BCL2L1BCL2L2BADMDM4
SCHEMBL19504011 0.93 BCL2 (0.93) BCL2BCL2L1BCL2L2BADBCL2L11
SCHEMBL19503974 0.92 BCL2 (0.92) BCL2BCL2L1BCL2L2BADBCL2L11
SCHEMBL1679380 0.91 BCL2 (1.00) BCL2BCL2L1BCL2L2BADBCL2L11
SCHEMBL1679385 0.91 BCL2 (1.00) BCL2BCL2L1BCL2L2BADBCL2L11
SCHEMBL1111766 0.89 BCL2 (0.82) BCL2BCL2L1BCL2L2BADMDM4
SCHEMBL1111770 0.89 BCL2 (0.82) BCL2BCL2L1BCL2L2BADMDM4
SCHEMBL1677649 0.88 BCL2 (0.78) BCL2BCL2L1BCL2L2BADMDM4
SCHEMBL1677648 0.88 BCL2 (0.78) BCL2BCL2L1BCL2L2BADMDM4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017184995-A1 COMPOUNDS THAT INDUCE DEGRADATION OF ANTI-APOPTOTIC BCL-2 FAMILY PROTEINS AND THE USES THEREOF BIOVENTURES, LLC (US) 2017-10-26 WO disclosed