SCHEMBL15313750

SCHEMBL15313750

CN(CCc1ccccc1)S(=O)(=O)c1cc(C(=O)N2CCc3ccc(S(=O)(=O)NCCc4ccccc4)cc3C2)c(O)c(O)c1O

nearest known ligand 0.91

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 3/20 0.91
MCL1 Q07820 1/20 0.91
BAD Q92934 1/20 0.91
SMN1; SMN2 Q16637 5/20 0.43
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
MGAT3 Q09327 2/20 0.41
DGAT1 O75907 1/20 0.41
MGAT2 Q10469 1/20 0.41
LMNA P02545 5/20 0.41
HTT P42858 3/20 0.41
ALDH1A1 P00352 5/20 0.41
MAPK1 P28482 1/20 0.41
PKM P14618 1/20 0.40
ALOX15 P16050 1/20 0.40
CASP1 P29466 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HPGD P15428 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
SCHEMBL15313749 0.95 BCL2 (1.00) BCL2MCL1BADSMN1; SMN2ADRB2
SCHEMBL15313971 0.95 BCL2 (0.96) BCL2MCL1BADSMN1; SMN2ADRB2
SCHEMBL15313746 0.94 BCL2 (0.86) BCL2MCL1BADSMN1; SMN2MGAT3
SCHEMBL15313973 0.89 BCL2 (0.85) BCL2MCL1BADSMN1; SMN2MGAT3
SCHEMBL15313975 0.88 BCL2 (0.84) BCL2MCL1BADSMN1; SMN2MGAT3
SCHEMBL15313760 0.88 BCL2 (0.79) BCL2MCL1BADSMN1; SMN2MGAT3
SCHEMBL15313964 0.88 BCL2 (0.78) BCL2MCL1BADSMN1; SMN2ADRB2
SCHEMBL15313996 0.86 BCL2 (0.77) BCL2MCL1BADSMN1; SMN2MGAT3
SCHEMBL15314006 0.86 BCL2 (0.70) BCL2MCL1BADSMN1; SMN2ADRB2
SCHEMBL15313970 0.86 BCL2 (0.75) BCL2MCL1BADSMN1; SMN2ADRB2

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