SCHEMBL15313758

SCHEMBL15313758

O=C(c1cc(S(=O)(=O)N2CCc3ccccc3C2)c(O)c(O)c1O)N1CCc2ccccc2C1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.63
HSP90AA1 P07900 1/20 0.51
KMT2A Q03164 5/20 0.50
ALDH1A1 P00352 4/20 0.50
HPGD P15428 2/20 0.50
HTT P42858 2/20 0.50
LMNA P02545 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.48
MEN1 O00255 2/20 0.48
GAA P10253 1/20 0.48
TSHR P16473 1/20 0.48
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
AKR1C3 P42330 5/20 0.47
AKR1C1 Q04828 1/20 0.47

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
SCHEMBL15313767 0.89 LMNA (0.57) BCL2KMT2AALDH1A1LMNAL3MBTL1
SCHEMBL15313737 0.88 ALDH1A1 (0.58) BCL2KMT2AALDH1A1HPGDLMNA
SCHEMBL15313736 0.88 ALDH1A1 (0.58) BCL2KMT2AALDH1A1HPGDLMNA
SCHEMBL15313764 0.88 MEN1 (0.51) BCL2KMT2AALDH1A1HPGDLMNA
SCHEMBL15313759 0.88 BCL2 (0.55) BCL2KMT2AALDH1A1HPGDHTT
SCHEMBL15313771 0.87 MEN1 (0.57) BCL2KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL15313740 0.86 BCL2 (0.53) BCL2KMT2AALDH1A1HPGDHTT
SCHEMBL15313739 0.84 BCL2 (0.59) BCL2KMT2AALDH1A1HPGDHTT
SCHEMBL15313741 0.84 BCL2 (0.61) BCL2KMT2AALDH1A1HPGDHTT
SCHEMBL15313766 0.83 BCL2 (0.51) BCL2KMT2AALDH1A1HPGDHTT

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