SCHEMBL15313753

SCHEMBL15313753

O=C(c1cc(S(=O)(=O)N2CCc3ccccc3C2)c(O)c(O)c1O)N1CCc2ccc(S(=O)(=O)NCCc3ccc(Cl)cc3)cc2C1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 3/20 0.65
MCL1 Q07820 1/20 0.63
BAD Q92934 1/20 0.63
MAPT P10636 2/20 0.42
LMNA P02545 4/20 0.42
HTT P42858 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
BACE1 P56817 1/20 0.42
MAPK1 P28482 1/20 0.41
AKR1C3 P42330 1/20 0.41
TP53 P04637 2/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 2/20 0.41
HSP90AA1 P07900 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
OPRK1 P41145 1/20 0.40

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
SCHEMBL15313742 0.94 BCL2 (0.73) BCL2MCL1BADLMNAHTT
SCHEMBL15313751 0.93 BCL2 (0.63) BCL2MCL1BADLMNAHTT
SCHEMBL15313763 0.93 BCL2 (0.67) BCL2MCL1BADMAPTLMNA
SCHEMBL15313754 0.93 BCL2 (0.65) BCL2MCL1BADMAPTLMNA
SCHEMBL15313961 0.91 BCL2 (0.65) BCL2MCL1BADMAPTLMNA
SCHEMBL15313756 0.91 BCL2 (0.65) BCL2MCL1BADMAPTLMNA
SCHEMBL15313757 0.89 BCL2 (0.69) BCL2MCL1BADMAPTLMNA
SCHEMBL15313762 0.88 BCL2 (0.59) BCL2MCL1BADMAPTLMNA
SCHEMBL15313755 0.87 BCL2 (0.64) BCL2MCL1BADMAPTLMNA
SCHEMBL15313999 0.87 BCL2 (0.48) BCL2MCL1BADMAPTLMNA

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
US-8557812-B2 Small molecule inhibitors of anti-apoptotic BCL-2 family members and the uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2013-10-15 US disclosed
US-8557812-B2 Small molecule inhibitors of anti-apoptotic BCL-2 family members and the uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2013-10-15 US disclosed