SCHEMBL15313771

SCHEMBL15313771

O=C(c1cc(S(=O)(=O)N2CCc3ccccc3C2)c(O)c(O)c1O)N1CCN(S(=O)(=O)c2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
MAPT P10636 3/20 0.55
LMNA P02545 2/20 0.55
GAA P10253 4/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
AKR1C3 P42330 7/20 0.53
ESR2 Q92731 1/20 0.53
AKR1C1 Q04828 1/20 0.53
ALDH1A1 P00352 3/20 0.53
PKM P14618 1/20 0.53
HSD17B10 Q99714 1/20 0.53
BCL2 P10415 1/20 0.48
KDM4E B2RXH2 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
SCHEMBL15313764 0.91 MEN1 (0.51) MEN1KMT2AMAPTLMNAGAA
SCHEMBL15313767 0.90 LMNA (0.57) MEN1KMT2AMAPTLMNAGAA
SCHEMBL15313758 0.87 BCL2 (0.63) MEN1KMT2ALMNAGAASMN1; SMN2
SCHEMBL15313737 0.83 ALDH1A1 (0.58) MEN1KMT2ALMNAGAASMN1; SMN2
SCHEMBL15313736 0.83 ALDH1A1 (0.58) MEN1KMT2ALMNAGAASMN1; SMN2
SCHEMBL15313748 0.79 BCL2 (0.50) MEN1KMT2AGAASMN1; SMN2AKR1C3
SCHEMBL15313740 0.79 BCL2 (0.53) MEN1KMT2AMAPTLMNAGAA
SCHEMBL15313759 0.78 BCL2 (0.55) MEN1KMT2AGAASMN1; SMN2AKR1C3
SCHEMBL15313741 0.77 BCL2 (0.61) MEN1KMT2AMAPTLMNAGAA
SCHEMBL15313766 0.76 BCL2 (0.51) MEN1KMT2AMAPTLMNAGAA

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