SCHEMBL9820046

SCHEMBL9820046

O=C(O)Oc1c2oc3ccc(Br)cc3nc-2ccc1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GPR35 Q9HC97 1/20 0.36
PIM1 P11309 1/20 0.36
AKR1B1 P15121 1/20 0.36
XDH P47989 1/20 0.36
KDM4E B2RXH2 4/20 0.34
MAPT P10636 4/20 0.34
POLB P06746 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
HDAC6 Q9UBN7 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYSLTR2 Q9NS75 1/20 0.34
CYSLTR1 Q9Y271 1/20 0.34
ALDH1A1 P00352 3/20 0.33

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
SCHEMBL9819998 0.85 GAA (0.44) KDM4EMAPTPOLBMEN1KMT2A
SCHEMBL9819961 0.85 GAA (0.43) KDM4EMAPTPOLBMEN1KMT2A
SCHEMBL9835193 0.83 GAA (0.45) KDM4EMAPTPOLBMEN1KMT2A
SCHEMBL9819945 0.82 MEN1 (0.41) XDHKDM4EMAPTPOLBMEN1
SCHEMBL10674132 0.81 GRIN1 (0.42) GRIN1GRIN2AGRIN2BGRIN2CGPR35
SCHEMBL9836825 0.72 AKR1B1 (0.39) GPR35AKR1B1KDM4EMAPTPOLB
SCHEMBL9820082 0.71 MCL1 (0.35) KDM4EMAPTPOLBSMN1; SMN2ALDH1A1
SCHEMBL29826477 0.67 XDH (0.55) GRIN1GRIN2AGRIN2BGRIN2CGPR35
SCHEMBL1906793 0.67 XDH (0.55) GRIN1GRIN2AGRIN2BGRIN2CGPR35
SCHEMBL9819930 0.66 CA12 (0.41) KDM4EMAPTPOLBMEN1KMT2A

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-0210559-B1 N-ACYLDIHYDRORESORUFIN DERIVATIVES, PROCESS FOR THEIR PREPARATION AS WELL AS THEIR USE FOR THE DETERMINATION OF HYDROGEN PEROXIDE, PEROXIDATICALLY ACTIVE COMPOUNDS, OR PEROXIDASE Roche Diagnostics GmbH (DE) 1991-09-25 EP disclosed
EP-0156347-B1 GLYCOSIDES OF RESOFURIN DERIVATIVES, METHOD FOR THEIR PREPARATION AND THEIR USE IN THE DETERMINATION OF THE ACTIVITY OF GLYCOSIDASES Roche Diagnostics GmbH (DE) 1991-09-04 EP disclosed
EP-0210559-A2 N-Acyldihydroresorufin derivatives, process for their preparation as well as their use for the determination of hydrogen peroxide, peroxidatically active compounds, or peroxidase Roche Diagnostics GmbH (DE) 1987-02-04 EP disclosed