SCHEMBL14506002

SCHEMBL14506002

c1ccc(-c2c3ccccc3c(-c3ccc4cc(-c5c6ccccc6c(-c6cccc(-c7nc8ccccc8n7-c7ccccc7)c6)c6ccccc56)ccc4c3)c3ccccc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.51
ESR2 Q92731 3/20 0.51
HDAC1 Q13547 3/20 0.48
HDAC8 Q9BY41 3/20 0.48
HDAC6 Q9UBN7 3/20 0.48
PTGER4 P35408 1/20 0.46
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
GRIA1 P42261 1/20 0.44
CACNG8 Q8WXS5 1/20 0.44
CACNG2 Q9Y698 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 2/20 0.43
MAPK10 P53779 3/20 0.43
HSP90AA1 P07900 1/20 0.42
MAPT P10636 1/20 0.42
RECQL P46063 1/20 0.42
PRKACA P17612 1/20 0.41
RPS6KB1 P23443 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
SCHEMBL14505985 0.97 ESR1 (0.53) ESR1ESR2HDAC1HDAC8HDAC6
SCHEMBL18999484 0.97 ESR1 (0.53) ESR1ESR2HDAC1HDAC8HDAC6
SCHEMBL14506015 0.97 ESR1 (0.53) ESR1ESR2HDAC1HDAC8HDAC6
SCHEMBL338275 0.96 ESR1 (0.50) ESR1ESR2HDAC1HDAC8HDAC6
SCHEMBL13098745 0.96 ESR1 (0.50) ESR1ESR2HDAC1HDAC8HDAC6
SCHEMBL29444793 0.96 ESR1 (0.50) ESR1ESR2HDAC1HDAC8HDAC6
SCHEMBL24811902 0.95 ESR1 (0.47) ESR1ESR2HDAC1HDAC8HDAC6
SCHEMBL11954057 0.95 ALDH1A1 (0.47) ESR1ESR2HDAC1HDAC8HDAC6
SCHEMBL14506133 0.95 ESR1 (0.49) ESR1ESR2HDAC1HDAC8HDAC6
SCHEMBL24812207 0.95 ESR1 (0.49) ESR1ESR2HDAC1HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8951831-B2 Binaphthalene derivatives, preparation method thereof and organic electronic device using the same LG CHEM, LTD. (KR) 2015-02-10 US disclosed
US-8951831-B2 Binaphthalene derivatives, preparation method thereof and organic electronic device using the same LG CHEM, LTD. (KR) 2015-02-10 US disclosed
US-20140183505-A1 BINAPHTHALENE DERIVATIVES, PREPARATION METHOD THEREOF AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM, LTD. (KR) 2014-07-03 US disclosed
US-20140183505-A1 BINAPHTHALENE DERIVATIVES, PREPARATION METHOD THEREOF AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM, LTD. (KR) 2014-07-03 US disclosed
US-8674138-B2 Binaphthalene derivatives, preparation method thereof and organic electronic device using the same LG CHEM. LTD. (KR) 2014-03-18 US disclosed
US-20070108892-A1 Binaphthalene derivatives, preparation method thereof and organic electronic device using the same LG CHEM. LTD. (KR) 2007-05-17 US disclosed