SCHEMBL3858839

SCHEMBL3858839

COc1ccc2c(c1)N(C)c1c(C)ccc(OC)c1C2C(=O)Oc1c(F)ccc(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
MAPK1 P28482 2/20 0.34
MAPT P10636 4/20 0.33
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
GAA P10253 2/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
LMNA P02545 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
POLB P06746 1/20 0.32
NPC1 O15118 1/20 0.31
AHR P35869 1/20 0.31
RAB9A P51151 1/20 0.31
CPS1 P31327 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
SCHEMBL14564646 0.93 TAS1R3 (0.34) TAS1R3TAS1R1TAS1R2MAPK1MAPT
SCHEMBL14153964 0.91 SLC6A2 (0.33) TAS1R3TAS1R1TAS1R2MAPK1MAPT
SCHEMBL8880027 0.89 SLC6A2 (0.33) MAPK1MAPTGAASLC6A2SLC6A4
SCHEMBL7592395 0.87 TAS1R3 (0.34) TAS1R3TAS1R1TAS1R2MAPK1MAPT
SCHEMBL7591680 0.84 SLC6A2 (0.37) MAPK1MAPTKMT2AMEN1GAA
SCHEMBL14577964 0.82 MTNR1B (0.32) SLC6A2SLC6A4SLC6A3SMN1; SMN2CYP1A2
SCHEMBL8688713 0.81 KMT2A (0.36) MAPTKMT2AMEN1GAASMN1; SMN2
SCHEMBL914119 0.79 HDAC4 (0.39) MAPK1MAPTKMT2AMEN1SLC6A2
SCHEMBL8686287 0.78 MEN1 (0.38) MAPTKMT2AMEN1GAASMN1; SMN2
SCHEMBL14153971 0.78 SLC6A2 (0.32) MAPTSLC6A2SLC6A4SLC6A3SMN1; SMN2

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 9 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 claimed
EP-1509601-B1 FLUORESCENT DETECTION OF PEROXIDASE ENZYMES LUMIGEN INC (US) 2012-12-05 EP disclosed
EP-1509601-A4 FLUORESCENT DETECTION OF PEROXIDASE ENZYMES LUMIGEN INC (US) 2009-01-14 EP disclosed
US-6897036-B2 Fluorescent detection of peroxidase enzymes LUMIGEN, INC. (US) 2005-05-24 US disclosed
EP-1509601-A1 FLUORESCENT DETECTION OF PEROXIDASE ENZYMES LUMIGEN, INC. (US) 2005-03-02 EP disclosed
US-20030232405-A1 Fluorescent detection of peroxidase enzymes LUMIGEN INC. 2003-12-18 US disclosed
WO-2003104447-A1 FLUORESCENT DETECTION OF PEROXIDASE ENZYMES LUMIGEN, INC. (US) 2003-12-18 WO disclosed
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