SCHEMBL3420935

SCHEMBL3420935

Brc1c2ccccc2c(Br)c2cc(-c3ccc4ccccc4c3)ccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.48
ESR2 Q92731 3/20 0.48
ALOX5 P09917 1/20 0.47
HSD17B1 P14061 2/20 0.46
HSD17B2 P37059 2/20 0.46
CYP2A6 P11509 1/20 0.45
GSTP1 P09211 1/20 0.44
CYP17A1 P05093 1/20 0.43
CYP19A1 P11511 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
CA7 P43166 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40

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
SCHEMBL27367812 0.98 ESR1 (0.50) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL30100403 0.93 ESR1 (0.43) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL1527538 0.93 ESR1 (0.43) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL1535059 0.88 ESR1 (0.43) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL29961276 0.88 ESR1 (0.43) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL27858229 0.86 ESR1 (0.47) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL1527447 0.85 ESR1 (0.43) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL23022677 0.85 ESR1 (0.43) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL30089450 0.85 ESR1 (0.50) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL2715769 0.85 ESR1 (0.50) ESR1ESR2ALOX5HSD17B1HSD17B2

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
CN-102442939-A Electronic transmission material with pyridylphenyl substituted anthracene compound, organic electroluminescence element, display device and illuminating device JNC CORP 2012-05-09 CN disclosed
WO-2010071362-A2 DEUTERATED ANTHRACENE DERIVATIVE, AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 두산 (KR) 2010-06-24 WO disclosed