SCHEMBL5686998

SCHEMBL5686998

Oc1ccc2cc(Oc3ccccn3)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN7A Q01118 6/20 0.47
KCNH2 Q12809 6/20 0.47
CYP1A2 P05177 1/20 0.47
TLR4 O00206 1/20 0.45
TLR2 O60603 1/20 0.45
SCN5A Q14524 1/20 0.45
SCN2A Q99250 1/20 0.45
SCN8A Q9UQD0 1/20 0.45
EGLN2 Q96KS0 1/20 0.45
EGLN1 Q9GZT9 1/20 0.45
PTGS2 P35354 2/20 0.44
HAO1 Q9UJM8 1/20 0.44
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
KMT2A Q03164 1/20 0.43
RAB9A P51151 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL3334396 0.85 ESR2 (0.53) CYP1A2TLR4TLR2MGLLESR1
SCHEMBL5686657 0.84 LTA4H (0.54) CYP1A2TLR4TLR2PTGS2MEN1
SCHEMBL2582155 0.83 TLR4 (0.50) TLR4TLR2PTGS2RAB9AHRH3
SCHEMBL15387423 0.83 HRH3 (0.44) SCN7AKCNH2TLR4TLR2EGLN2
SCHEMBL30843232 0.83 TLR4 (0.50) TLR4TLR2PTGS2RAB9AHRH3
SCHEMBL2903652 0.82 F2 (0.49) CYP1A2HAO1MEN1ALDH1A1KMT2A
SCHEMBL2905418 0.81 CYP1A2 (0.39) SCN7AKCNH2CYP1A2HAO1MEN1
SCHEMBL5687378 0.81 RAB9A (0.64) CYP1A2TLR4TLR2HAO1MEN1
SCHEMBL2906411 0.81 CYP1A2 (0.42) CYP1A2HAO1MEN1ALDH1A1KMT2A
SCHEMBL1129299 0.80 THRB (0.55) SCN7AKCNH2CYP1A2TLR4TLR2

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-1636209-A1 EPOXY COMPOUND AND CURED EPOXY RESIN PRODUCT Sumitomo Chemical Company, Limited (JP) 2006-03-22 EP disclosed
WO-2004113327-A1 EPOXY COMPOUND AND CURED EPOXY RESIN PRODUCT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-12-29 WO disclosed