SCHEMBL15313996

SCHEMBL15313996

O=C(c1cc(S(=O)(=O)NCc2ccccc2)c(O)c(O)c1O)N1CCc2ccc(S(=O)(=O)NCCc3ccccc3)cc2C1

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 3/20 0.77
MCL1 Q07820 2/20 0.74
BAD Q92934 1/20 0.74
LMNA P02545 4/20 0.48
HTT P42858 3/20 0.48
HPGD P15428 2/20 0.48
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 4/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
PKM P14618 2/20 0.42
RAB9A P51151 1/20 0.42
DGAT1 O75907 1/20 0.42
MGAT3 Q09327 1/20 0.42
MGAT2 Q10469 1/20 0.42
MAPK1 P28482 1/20 0.41

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
SCHEMBL15313962 0.93 BCL2 (0.78) BCL2MCL1BADLMNAHTT
SCHEMBL15313760 0.92 BCL2 (0.79) BCL2MCL1BADLMNAHTT
SCHEMBL15313970 0.91 BCL2 (0.75) BCL2MCL1BADLMNAHTT
SCHEMBL15313742 0.88 BCL2 (0.73) BCL2MCL1BADLMNAHTT
SCHEMBL15313993 0.87 BCL2 (0.70) BCL2MCL1BADLMNAHTT
SCHEMBL15313992 0.87 BCL2 (1.00) BCL2MCL1BADLMNAHTT
SCHEMBL15313750 0.86 BCL2 (0.91) BCL2MCL1BADLMNAHTT
SCHEMBL15313746 0.86 BCL2 (0.86) BCL2MCL1BADLMNAHTT
SCHEMBL15313741 0.86 BCL2 (0.61) BCL2MCL1BADLMNAHTT
SCHEMBL15313749 0.85 BCL2 (1.00) BCL2MCL1BADLMNAHTT

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