SCHEMBL8686451

SCHEMBL8686451

COc1cccc(Nc2cc(OC)ccc2C)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 5/20 0.61
AKR1C2 P52895 5/20 0.61
RAPGEF4 Q8WZA2 1/20 0.61
GAA P10253 2/20 0.58
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
MAPT P10636 4/20 0.56
POLB P06746 2/20 0.56
MAPK1 P28482 1/20 0.56
HTT P42858 2/20 0.54
EGFR P00533 1/20 0.54
ERBB3 P21860 1/20 0.54
TSHR P16473 1/20 0.54
NPC1 O15118 2/20 0.51
RAB9A P51151 1/20 0.51
PKM P14618 1/20 0.51
KEAP1 Q14145 1/20 0.49
GFER P55789 1/20 0.49
TP53 P04637 1/20 0.49
MTNR1A P48039 1/20 0.49

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
SCHEMBL18550734 0.86 GAA (0.63) AKR1C3AKR1C2RAPGEF4GAAMEN1
SCHEMBL1921497 0.82 MEN1 (0.62) AKR1C3AKR1C2RAPGEF4GAAMEN1
SCHEMBL13890897 0.81 EGFR (0.55) AKR1C3AKR1C2GAAMAPTPOLB
SCHEMBL1085867 0.81 MEN1 (0.71) AKR1C3AKR1C2RAPGEF4GAAMEN1
SCHEMBL26908423 0.81 RAPGEF4 (0.55) AKR1C3AKR1C2RAPGEF4GAAMEN1
SCHEMBL21883722 0.80 RAPGEF4 (0.67) AKR1C3AKR1C2RAPGEF4GAAMEN1
SCHEMBL30939891 0.80 PTGS1 (0.64) AKR1C3AKR1C2RAPGEF4GAAMEN1
SCHEMBL28041521 0.80 PTGS1 (0.64) AKR1C3AKR1C2RAPGEF4GAAMEN1
SCHEMBL13302353 0.79 MEN1 (0.69) AKR1C3AKR1C2RAPGEF4GAAMEN1
SCHEMBL2112594 0.78 KMT2A (0.71) AKR1C3AKR1C2RAPGEF4GAAMEN1

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
US-5723295-A MULTISTAGE CHEMILUMINESCENT ASSAY WITH PEROXIDASE ENZYME, PH ADJUSTMENT LUMIGEN, INC. (US) 1998-03-03 US disclosed
US-5670644-A CHEMILUMINESCENT REACTIONS, PEROXIDASE AND PH FOR IMMUNOASSAY LUMIGEN, INC. (US) 1997-09-23 US disclosed