SCHEMBL15313847

SCHEMBL15313847

O=C(Nc1ccccc1)c1cc(Cc2ccccc2)c(O)c(O)c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 3/20 1.00
ALDH1A1 P00352 1/20 0.52
ADRB2 P07550 1/20 0.52
HSPD1 P10809 1/20 0.51
HSPE1 P61604 1/20 0.51
PTPN1 P18031 3/20 0.50
PTPN2 P17706 1/20 0.50
PTPN6 P29350 1/20 0.50
BCL2L1 Q07817 1/20 0.50
HPGD P15428 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
HSD17B10 Q99714 1/20 0.49
BCAT2 O15382 1/20 0.48
MAPT P10636 1/20 0.47
RAB9A P51151 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
SCHEMBL15313820 0.87 BCL2 (1.00) BCL2ALDH1A1BCL2L1HPGDKDM4E
SCHEMBL28707306 0.81 PTPN1 (0.73) BCL2PTPN1PTPN2PTPN6BCL2L1
SCHEMBL15313899 0.81 BCL2 (0.67) BCL2ALDH1A1PTPN1PTPN2PTPN6
SCHEMBL15313824 0.81 BCL2 (0.68) BCL2BCL2L1KMT2AMAPT
SCHEMBL15313814 0.80 BCL2 (0.68) BCL2ALDH1A1ADRB2HSPD1HSPE1
SCHEMBL15313853 0.80 BCL2 (0.77) BCL2BCL2L1KDM4ETP53RAB9A
SCHEMBL15313905 0.80 BCL2 (0.70) BCL2ALDH1A1BCL2L1MEN1LMNA
SCHEMBL8971238 0.80 ALDH1A1 (0.73) BCL2ALDH1A1ADRB2HPGDKDM4E
SCHEMBL15313895 0.79 BCL2L1 (0.84) BCL2ALDH1A1BCL2L1LMNA
SCHEMBL2169634 0.79 MEN1 (0.68) BCL2ALDH1A1ADRB2HSPD1HSPE1

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