SCHEMBL12354571

SCHEMBL12354571

c1ccc(-c2cccc(-c3c4ccccc4c(-c4cccc(-c5ccccc5)c4)c4cc(-c5ccc(-n6c(-c7ccccc7)nc7ccccc76)cc5)ccc34)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.56
ESR2 Q92731 1/20 0.56
GRIA1 P42261 1/20 0.49
CACNG8 Q8WXS5 1/20 0.49
CACNG2 Q9Y698 1/20 0.49
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
HSP90AA1 P07900 1/20 0.47
MAPT P10636 1/20 0.47
HDAC1 Q13547 3/20 0.45
HDAC8 Q9BY41 3/20 0.45
HDAC6 Q9UBN7 3/20 0.45
PTGS2 P35354 1/20 0.45
ALDH1A1 P00352 7/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 1/20 0.43
PTGER4 P35408 1/20 0.43
GAA P10253 2/20 0.43
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 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
SCHEMBL26345232 0.99 ESR1 (0.55) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL12571656 0.96 ESR1 (0.52) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL26345348 0.96 ESR1 (0.52) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL18999330 0.96 ESR1 (0.54) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL12571657 0.95 ESR1 (0.50) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL13042755 0.95 ESR1 (0.56) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL26345246 0.95 ESR1 (0.50) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL23784954 0.95 ESR1 (0.59) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL22605290 0.95 ESR1 (0.59) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL22605289 0.95 ESR1 (0.59) ESR1ESR2GRIA1CACNG8CACNG2

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-20110198577-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND DISPLAY DEVICE SONY CORPORATION (JP) 2011-08-18 US disclosed
US-20110198577-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND DISPLAY DEVICE SONY CORPORATION (JP) 2011-08-18 US disclosed