SCHEMBL15907497

SCHEMBL15907497

Brc1c2ccccc2c(-c2ccc(I)cc2)c2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 8/20 0.37
▸ CYP1A1 P04798 7/20 0.37
▸ CYP1B1 Q16678 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ ESR1 P03372 4/20 0.32
▸ ESR2 Q92731 4/20 0.32
▸ ACHE P22303 2/20 0.32
▸ PTGS2 P35354 2/20 0.31
▸ PTPN1 P18031 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31

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
SCHEMBL3000291 0.89 KDM4E (0.42) CYP1A2KDM4EL3MBTL1MAPK1MAPT
SCHEMBL7768850 0.89 CYP1A2 (0.42) CYP1A2CYP1A1CYP1B1KDM4EL3MBTL1
SCHEMBL28824925 0.87 MAPK1 (0.46) CYP1A2CYP1A1CYP1B1KDM4EL3MBTL1
SCHEMBL12560663 0.84 MAPK1 (0.48) CYP1A2KDM4EL3MBTL1MAPK1MAPT
SCHEMBL29603166 0.82 MAPK1 (0.50) CYP1A2KDM4EL3MBTL1MAPK1MAPT
SCHEMBL1534946 0.82 MAPK1 (0.50) CYP1A2KDM4EL3MBTL1MAPK1MAPT
SCHEMBL12560730 0.82 MAPK1 (0.50) CYP1A2KDM4EL3MBTL1MAPK1MAPT
SCHEMBL4827207 0.82 ALDH1A1 (0.50) CYP1A2CYP1A1CYP1B1KDM4EL3MBTL1
SCHEMBL295397 0.81 MAPK1 (0.50) CYP1A2KDM4EL3MBTL1MAPK1MAPT
SCHEMBL30396122 0.81 MAPK1 (0.50) CYP1A2KDM4EL3MBTL1MAPK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9773987-B2 Silicon-based compound and organic light-emitting diode comprising the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-09-26 — — US disclosed
US-9773987-B2 Silicon-based compound and organic light-emitting diode comprising the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-09-26 — — US disclosed
US-20140209869-A1 SILICON-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING THE SAME SAMSUNG DISPLAY CO., LTD (KR) 2014-07-31 — — US disclosed
US-20140209869-A1 SILICON-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING THE SAME SAMSUNG DISPLAY CO., LTD (KR) 2014-07-31 — — US disclosed
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