SCHEMBL9836825

SCHEMBL9836825

O=C(O)Oc1c2oc3c(Cl)cc(Cl)cc3nc-2ccc1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.39
HPGD P15428 2/20 0.36
USP2 O75604 1/20 0.36
POLB P06746 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GPR35 Q9HC97 1/20 0.36
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
CSNK2A1 P68400 1/20 0.35
CSNK2A3 Q8NEV1 1/20 0.35
MAPT P10636 2/20 0.34
CETP P11597 1/20 0.33
F12 P00748 1/20 0.33
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL9819961 0.82 GAA (0.43) HPGDPOLBALOX15ALOX12HSD17B10
SCHEMBL10680532 0.81 HPGD (0.41) AKR1B1HPGDUSP2POLBALOX15
SCHEMBL9820082 0.75 MCL1 (0.35) HPGDUSP2POLBHSD17B10MAPT
SCHEMBL9819945 0.74 MEN1 (0.41) HPGDPOLBHSD17B10MAPTKDM4E
SCHEMBL9819998 0.72 GAA (0.44) HPGDPOLBHSD17B10MAPTKDM4E
SCHEMBL9820046 0.72 GRIN1 (0.36) AKR1B1HPGDUSP2POLBALOX15
SCHEMBL9835193 0.71 GAA (0.45) HPGDPOLBALOX15HSD17B10MAPT
SCHEMBL9325874 0.67 GPR35 (0.34) AKR1B1HPGDUSP2POLBALOX15
SCHEMBL9819993 0.64
SCHEMBL10447737 0.64 CA1 (0.43) HPGDCASP1HSD17B10KDM4EALDH1A1

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 2 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-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