SCHEMBL15313692

SCHEMBL15313692

O=C(c1cccc(Br)c1)c1cc(CCCc2ccccc2)c(O)c(O)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
BCL2 P10415 2/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
MCL1 Q07820 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 2/20 0.39
HDAC8 Q9BY41 1/20 0.39
BID P55957 1/20 0.39
BCL2L1 Q07817 1/20 0.39
BAK1 Q16611 1/20 0.39
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
CASP3 P42574 1/20 0.38

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
SCHEMBL15313684 0.88 HSP90AA1 (0.47) MAPTBCL2MCL1MEN1KMT2A
SCHEMBL15313682 0.77 RAB9A (0.51) NPC1RAB9AALDH1A1HTTL3MBTL1
SCHEMBL5698161 0.72 BCL2 (0.58) MAPTALDH1A1L3MBTL1BCL2MCL1
SCHEMBL16203111 0.72 NPC1 (0.70) NPC1RAB9AMAPTALDH1A1L3MBTL1
SCHEMBL15313690 0.71 BCL2 (0.43) NPC1MAPTALDH1A1HTTBCL2
SCHEMBL16203113 0.70 TDP1 (0.61) NPC1RAB9AMAPTALDH1A1L3MBTL1
SCHEMBL9448569 0.70 BCL2 (0.55) MAPTALDH1A1L3MBTL1BCL2MCL1
SCHEMBL7394259 0.69 TDP1 (0.61) NPC1RAB9AMAPTALDH1A1L3MBTL1
SCHEMBL3949047 0.69 PARP1 (0.57) NPC1RAB9AMAPTALDH1A1HTT
SCHEMBL29817934 0.69 NPC1 (0.84) NPC1RAB9AALDH1A1L3MBTL1POLB

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