SCHEMBL4623917

SCHEMBL4623917

O=C(CCc1cc(Br)c(OC(=O)c2c3ccccc3nc3ccccc23)c(Br)c1)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 8/20 0.48
THRB P10828 8/20 0.48
MAPK1 P28482 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 3/20 0.44
LMNA P02545 1/20 0.44
TDP1 Q9NUW8 1/20 0.40
ESR1 P03372 1/20 0.40
NR3C1 P04150 1/20 0.40
PGR P06401 1/20 0.40
NR3C2 P08235 1/20 0.40
AR P10275 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
NPY1R P25929 1/20 0.39
NPY2R P49146 1/20 0.39
TOP2A P11388 1/20 0.38
TOP2B Q02880 1/20 0.38
KMT2A Q03164 2/20 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
SCHEMBL4623903 0.87 THRA (0.54) THRATHRBL3MBTL1ESR1NR3C1
SCHEMBL22817985 0.82 MAPK1 (0.50) MAPK1L3MBTL1SMN1; SMN2KDM4ELMNA
SCHEMBL4624544 0.81 PSMB8 (0.39) THRATHRBSMN1; SMN2KDM4ELMNA
SCHEMBL4625987 0.75 THRA (0.56) THRATHRBMAPK1L3MBTL1KDM4E
SCHEMBL1603232 0.75 KMT2A (0.42) SMN1; SMN2KDM4ELMNAALDH1A1HPGD
SCHEMBL18118665 0.75 KMT2A (0.56) MAPK1L3MBTL1SMN1; SMN2KDM4ELMNA
SCHEMBL9631380 0.73 TDP1 (0.47) L3MBTL1SMN1; SMN2KDM4ELMNATDP1
SCHEMBL8875118 0.72 SMN1; SMN2 (0.41) THRBMAPK1L3MBTL1SMN1; SMN2KDM4E
SCHEMBL7533840 0.72 TDP1 (0.42) L3MBTL1SMN1; SMN2KDM4ELMNATDP1
SCHEMBL7533211 0.71 GLRA1 (0.47) L3MBTL1SMN1; SMN2KDM4ELMNATDP1

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
EP-1242622-B1 MONITORING OLIGONUCLEOTIDE BINDING PROCESSES USING CHEMILUMINESCENCE QUENCHING MOLECULAR LIGHT TECH RES LTD (GB) 2008-06-18 EP disclosed
US-7169554-B2 Monitoring oligonucleotide binding processes using chemiluminescence quenching GEN-PROBE INCORPORATED (US) 2007-01-30 US disclosed
US-20030082713-A1 Monitoring oligonucleotide binding processes using chemiluminescence quenching THIRD WAVE TECHNOLOGIES, INC. 2003-05-01 US disclosed