SCHEMBL4623903

SCHEMBL4623903

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

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRA P10827 17/20 0.54
THRB P10828 17/20 0.54
ESR1 P03372 1/20 0.47
NR3C1 P04150 1/20 0.47
PGR P06401 1/20 0.47
NR3C2 P08235 1/20 0.47
AR P10275 1/20 0.47
HDAC6 Q9UBN7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PARP1 P09874 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
KEAP1 Q14145 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
SCHEMBL4623917 0.87 THRA (0.48) THRATHRBESR1NR3C1PGR
SCHEMBL4624544 0.82 PSMB8 (0.39) THRATHRBESR1NR3C1PGR
SCHEMBL1603232 0.80 KMT2A (0.42)
SCHEMBL8875118 0.78 SMN1; SMN2 (0.41) THRBL3MBTL1
SCHEMBL4624551 0.75 ALDH1A1 (0.52) HDAC6L3MBTL1
SCHEMBL7048368 0.73 MEN1 (0.45) L3MBTL1
SCHEMBL4900331 0.71 FFAR1 (0.67) THRATHRBESR1NR3C1PGR
SCHEMBL9424806 0.71 CYP1A2 (0.50) HDAC6PARP1PARP2KEAP1
SCHEMBL9425254 0.71 FFAR1 (0.47) HDAC6PARP1PARP2KEAP1
SCHEMBL4898411 0.71 THRA (0.70) THRATHRBESR1NR3C1PGR

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