SCHEMBL4624544

SCHEMBL4624544

O=C(CCc1cc(Br)c(OC(=O)c2c3ccccc3nc3ccccc23)c(Br)c1)ON1C(=O)CCC1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 1/20 0.39
PSMB5 P28074 1/20 0.39
THRA P10827 9/20 0.37
THRB P10828 9/20 0.37
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
ESR1 P03372 1/20 0.33
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
NR3C2 P08235 1/20 0.33
AR P10275 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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 0.82 THRA (0.54) THRATHRBESR1NR3C1PGR
SCHEMBL4623917 0.81 THRA (0.48) THRATHRBNPC1RAB9AKMT2A
Trifluoromethanesulfonic Acid SCHEMBL4624488 0.79 PSMB8 (0.34) PSMB8PSMB5
SCHEMBL4624551 0.78 ALDH1A1 (0.52) KMT2ASMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL4163816 0.75 PSMB8 (0.39) PSMB8PSMB5NPC1RAB9AKMT2A
SCHEMBL3143334 0.75 KDM4E (0.44) KMT2ASMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL7118784 0.74 KDM4E (0.40) KMT2ASMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL5182384 0.72 PSMB8 (0.40) PSMB8PSMB5NPC1RAB9AKMT2A
SCHEMBL436079 0.72 TDP1 (0.54) PSMB8PSMB5NPC1KMT2AHDAC2
SCHEMBL7589928 0.72 PSMB8 (0.33) PSMB8PSMB5KMT2AALDH1A1KDM4E

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