SCHEMBL22969893

SCHEMBL22969893

c1ccc(-c2cc3nc(-c4ccccc4)n(-c4ccccc4)c3cc2-c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.53
ESR2 Q92731 1/20 0.53
HCAR1 Q9BXC0 1/20 0.47
SIRT2 Q8IXJ6 2/20 0.44
SIRT1 Q96EB6 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
HSP90AA1 P07900 1/20 0.42
MAPT P10636 1/20 0.42
RECQL P46063 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GRIA1 P42261 1/20 0.41
CACNG8 Q8WXS5 1/20 0.41
CACNG2 Q9Y698 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
NLRP3 Q96P20 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 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
SCHEMBL24295352 0.88 ESR1 (0.57) ESR1ESR2HCAR1SIRT2SIRT1
SCHEMBL13042992 0.87 ESR1 (0.42) ESR1ESR2HCAR1SIRT2SIRT1
SCHEMBL13042841 0.85 MEN1 (0.41) ESR1ESR2HCAR1SIRT2SIRT1
SCHEMBL13042931 0.85 MEN1 (0.41) ESR1ESR2HCAR1SIRT2SIRT1
SCHEMBL1104826 0.85 HTT (0.60) HCAR1ALDH1A1MAPK1HTTAVPR1A
SCHEMBL24477061 0.85 ESR1 (0.54) ESR1ESR2HCAR1SIRT2SIRT1
SCHEMBL13043058 0.84 MEN1 (0.41) ESR1ESR2HCAR1SIRT2SIRT1
SCHEMBL13042798 0.84 MEN1 (0.43) ESR1ESR2HCAR1SIRT2SIRT1
SCHEMBL24810894 0.83 MEN1 (0.40) ESR1ESR2HCAR1SIRT2SIRT1
SCHEMBL13043002 0.83 ESR1 (0.44) ESR1ESR2HCAR1MEN1KMT2A

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
US-11778894-B2 Boron-containing organic light-emitting diode device and preparation method thereof JIANGSU SUNERA TECHNOLOGY CO., LTD. (CN) 2023-10-03 US disclosed
US-11778894-B2 Boron-containing organic light-emitting diode device and preparation method thereof JIANGSU SUNERA TECHNOLOGY CO., LTD. (CN) 2023-10-03 US disclosed
US-20210043841-A1 BORON-CONTAINING ORGANIC LIGHT-EMITTING DIODE DEVICE AND PREPARATION METHOD THEREOF VALIANT CO., LTD. (CN) 2021-02-11 US disclosed