SCHEMBL10353261

SCHEMBL10353261

c1ccc(-c2nc3ccccc3n2-c2ccc3cc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)ccc3c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.50
ESR2 Q92731 1/20 0.50
MAPK10 P53779 5/20 0.45
GRIA1 P42261 1/20 0.44
CACNG8 Q8WXS5 1/20 0.44
CACNG2 Q9Y698 1/20 0.44
HPGD P15428 2/20 0.42
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 2/20 0.40
KDM4E B2RXH2 1/20 0.40
PTGS2 P35354 1/20 0.40
MAPT P10636 2/20 0.39
HSP90AA1 P07900 1/20 0.39
PTGER4 P35408 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
RAB9A P51151 1/20 0.38

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
SCHEMBL17368998 0.98 ESR1 (0.48) ESR1ESR2MAPK10GRIA1CACNG8
SCHEMBL23784966 0.97 MAPK10 (0.45) ESR1ESR2MAPK10GRIA1CACNG8
SCHEMBL17369001 0.96 ESR1 (0.46) ESR1ESR2MAPK10GRIA1CACNG8
SCHEMBL26344695 0.95 ESR1 (0.50) ESR1ESR2MAPK10GRIA1CACNG8
SCHEMBL29444815 0.95 ESR1 (0.53) ESR1ESR2MAPK10GRIA1CACNG8
SCHEMBL10353327 0.95 ESR1 (0.53) ESR1ESR2MAPK10GRIA1CACNG8
SCHEMBL26345386 0.95 ESR1 (0.50) ESR1ESR2MAPK10GRIA1CACNG8
SCHEMBL23784952 0.95 ESR1 (0.53) ESR1ESR2MAPK10GRIA1CACNG8
SCHEMBL3741033 0.95 ESR1 (0.53) ESR1ESR2MAPK10GRIA1CACNG8
SCHEMBL10353262 0.95 ESR1 (0.53) ESR1ESR2MAPK10GRIA1CACNG8

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2560220-A1 ORGANIC ELECTROLUMINESCENT ELEMENT Idemitsu Kosan Co., Ltd. (JP) 2013-02-20 EP disclosed
US-20120181922-A1 ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2012-07-19 US disclosed
US-20120181922-A1 ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2012-07-19 US disclosed