SCHEMBL20482380

SCHEMBL20482380

O=C(OCc1ccccc1)c1ccc(Br)c(OCc2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.57
TDP1 Q9NUW8 2/20 0.57
SLC6A2 P23975 1/20 0.57
SLC6A3 Q01959 1/20 0.57
LMNA P02545 4/20 0.56
RAB9A P51151 7/20 0.53
NPC1 O15118 5/20 0.53
ALDH1A1 P00352 4/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
MAPT P10636 3/20 0.53
HPGD P15428 2/20 0.50
SMPD1 P17405 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
TSHR P16473 1/20 0.48
GAA P10253 2/20 0.47
FFAR1 O14842 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47
MEN1 O00255 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
SCHEMBL2394250 0.91 SMN1; SMN2 (0.51) RAB9ANPC1SMN1; SMN2MAPTHPGD
SCHEMBL30844598 0.91 SMN1; SMN2 (0.51) RAB9ANPC1SMN1; SMN2MAPTHPGD
SCHEMBL1990848 0.89 SLC6A2 (0.57) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL14914125 0.87 SMPD1 (0.59) KMT2ALMNARAB9ANPC1ALDH1A1
SCHEMBL2590133 0.87 RAB9A (0.56) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL4914162 0.87 MRGPRX4 (0.57) KMT2ARAB9ANPC1SMN1; SMN2HPGD
SCHEMBL30141105 0.87 KMT2A (0.62) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL3960907 0.87 KMT2A (0.62) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL289420 0.85 KMT2A (0.60) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL6287009 0.85 KMT2A (0.64) KMT2ATDP1SLC6A2SLC6A3LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018154466-A1 DIHYDROQUINOLIZINONES AS ANTIVIRALS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-08-30 WO disclosed
CN-1179960-C Indole derivatives and their use in the treatment of osteoporosis and other uses ʷ��˿�������ȳ�ķ�ɷݹ�˾ 2004-12-15 CN disclosed
CN-1370159-A Indole derivatives and their use for treatment of osteoporosis amongst other applications SMITHKLINE BEECHAM SPA (IT) 2002-09-18 CN disclosed