SCHEMBL15313778

SCHEMBL15313778

Cc1cccc(-c2ccc(NC(=O)c3cc(CCc4ccccc4)c(O)c(O)c3O)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 3/20 0.56
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 2/20 0.48
ADRB2 P07550 1/20 0.48
HCAR2 Q8TDS4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SMO Q99835 1/20 0.46
ALOX15 P16050 1/20 0.44
NR1H4 Q96RI1 1/20 0.43
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL15314355 0.89 BCL2 (0.56) BCL2KDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL15313788 0.79 BCL2 (0.62) BCL2KDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL15313792 0.77 BCL2 (0.58) BCL2KDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL15313795 0.76 BCL2 (0.57) BCL2KDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL15313790 0.76 BCL2 (0.58) BCL2KDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL15928756 0.75 ALDH1A1 (0.72) KDM4EALDH1A1HCAR2L3MBTL1SMO
SCHEMBL15313786 0.74 BCL2 (0.67) BCL2KDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL15313824 0.73 BCL2 (0.68) BCL2KMT2A
SCHEMBL15313847 0.72 BCL2 (1.00) BCL2KDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL22911554 0.71 SMO (0.51) LMNASMN1; SMN2ALDH1A1SMOMEN1

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
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