SCHEMBL9833606

SCHEMBL9833606

O=C(O)Oc1cc(=O)cc2oc3ccc(Cl)cc3nc1-2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.44
KMT2A Q03164 3/20 0.44
KCNH2 Q12809 2/20 0.44
MEN1 O00255 2/20 0.44
LMNA P02545 2/20 0.40
MAPK1 P28482 2/20 0.40
JAK2 O60674 2/20 0.40
CYP1A2 P05177 2/20 0.40
MAPT P10636 2/20 0.40
THRB P10828 1/20 0.40
ALOX15 P16050 1/20 0.40
CASP3 P42574 2/20 0.40
SENP7 Q9BQF6 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
AGPAT2 O15120 2/20 0.39
ANO1 Q5XXA6 1/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.38
ALOX12 P18054 1/20 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
SCHEMBL9819995 0.87 AGPAT2 (0.44) GAAKMT2AKCNH2MEN1LMNA
SCHEMBL9296337 0.81 KCNH2 (0.55) GAAKMT2AKCNH2MEN1LMNA
SCHEMBL10351907 0.81 HSD17B10 (0.41) GAAKMT2AKCNH2MEN1LMNA
Trifluoroacetic Acid SCHEMBL10351697 0.78 HSD17B10 (0.37) GAAKMT2AKCNH2MEN1LMNA
B-D-Galactose SCHEMBL9819987 0.75 LGALS8 (0.38) KMT2AMEN1LMNAMAPTCASP3
Bicarbonate SCHEMBL10758552 0.74 APP (0.56) GAAKMT2AKCNH2MEN1LMNA
SCHEMBL9819970 0.71 MEN1 (0.42) KMT2AMEN1MAPTTHRBSMN1; SMN2
SCHEMBL9819961 0.68 GAA (0.43) GAAKMT2AKCNH2MEN1LMNA
SCHEMBL17866889 0.68 PDE10A (0.41) GAAKMT2AMEN1CYP1A2MAPT
SCHEMBL3640007 0.67 MEN1 (0.56) GAAKMT2AKCNH2MEN1LMNA

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-0209875-B1 RESORUFIN DERIVATIVES AND PROCESS FOR THEIR PREPARATION Roche Diagnostics GmbH (DE) 1990-08-29 EP disclosed