SCHEMBL986595

SCHEMBL986595

Brc1ccc(-c2ccccc2C=C(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 2/20 0.42
SLC6A3 Q01959 1/20 0.37
MMP9 P14780 1/20 0.37
CYP19A1 P11511 2/20 0.37
CYP11B2 P19099 2/20 0.37
TDP1 Q9NUW8 2/20 0.36
NPC1 O15118 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GRIN2D O15399 2/20 0.36
GRIN3B O60391 2/20 0.36
GRIN1 Q05586 2/20 0.36
GRIN2A Q12879 2/20 0.36
GRIN2B Q13224 2/20 0.36
GRIN2C Q14957 2/20 0.36
GRIN3A Q8TCU5 2/20 0.36

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
SCHEMBL29801710 0.87 GRIN2D (0.44) ALDH1A1MAPK1MMP9CYP19A1CYP11B2
SCHEMBL828196 0.87 GRIN2D (0.44) ALDH1A1MAPK1MMP9CYP19A1CYP11B2
SCHEMBL28652203 0.87 MAPK1 (0.39) ALDH1A1MAPK1SLC6A3MMP9CYP19A1
SCHEMBL28304106 0.85 CYP19A1 (0.41) ALDH1A1MAPK1MMP9CYP19A1CYP11B2
SCHEMBL561349 0.81 CYP19A1 (0.47) ALDH1A1MAPK1MMP9CYP19A1CYP11B2
SCHEMBL28037210 0.81 EPRS1 (0.39) ALDH1A1MAPK1MMP9NPC1RAB9A
SCHEMBL19832033 0.79 ALDH1A1 (0.43) ALDH1A1MAPK1SLC6A3MMP9NPC1
Bromide SCHEMBL29160890 0.77 CYP19A1 (0.54) ALDH1A1CYP19A1CYP11B2TDP1NPC1
SCHEMBL15607138 0.77 CYP19A1 (0.53) ALDH1A1MAPK1CYP19A1CYP11B2NPC1
SCHEMBL27924234 0.75 PTPN1 (0.61) NPC1RAB9ASMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1063869-B1 METHOD FOR SELECTING ORGANIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICE IDEMITSU KOSAN CO (JP) 2011-04-06 EP disclosed
EP-2270117-A2 Organic electroluminescence device Idemitsu Kosan Co., Ltd. (JP) 2011-01-05 EP disclosed
US-20060159959-A1 Organic electroluminescence device with organic compound layer containing lower than 500 ppm of a halogen-containing compound IDEMITSU KOSAN CO., LTD. (JP) 2006-07-20 US disclosed
US-7045950-B2 Organic electroluminescence device with organic compound layer containing lower than 500 PPM of a halogen-containing compound IDEMITSU KOSAN CO., LTD. (JP) 2006-05-16 US disclosed
US-20040007971-A1 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2004-01-15 US disclosed
US-6617051-B1 Organic emitting layer sandwiched between a pair of electrodes, wherein at least one organic compound layer is formed from an organic compound material having an impurity concentration of lower than 1000 ppm. IDEMITSU KOSAN CO., LTD. (JP) 2003-09-09 US disclosed
EP-1063869-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN COMPANY LIMITED (JP) 2000-12-27 EP disclosed