SCHEMBL4875334

SCHEMBL4875334

Brc1ccc(-c2c3ccccc3c(-c3ccc(Br)cc3)c3cc4ccccc4cc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 3/20 0.47
▸ ESR2 Q92731 3/20 0.47
▸ CYP2A6 P11509 1/20 0.46
▸ MAPK1 P28482 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ MAOB P27338 1/20 0.43
▸ ALOX5 P09917 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ CYP1B1 Q16678 4/20 0.39
▸ CYP1A2 P05177 3/20 0.39
▸ CYP1A1 P04798 3/20 0.39
▸ TNKS O95271 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL30089377 0.88 CYP2A6 (0.54) ESR1ESR2CYP2A6MAPK1ALDH1A1
SCHEMBL9914792 0.88 CYP2A6 (0.54) ESR1ESR2CYP2A6MAPK1ALDH1A1
SCHEMBL29696841 0.87 ALDH1A1 (0.57) CYP2A6MAPK1ALDH1A1MAOBKDM4E
SCHEMBL1665653 0.87 ALDH1A1 (0.57) CYP2A6MAPK1ALDH1A1MAOBKDM4E
SCHEMBL28498111 0.86 CYP2A6 (0.52) ESR1ESR2CYP2A6MAPK1ALDH1A1
SCHEMBL13241716 0.85 ALDH1A1 (0.46) CYP2A6MAPK1ALDH1A1MAOBKDM4E
SCHEMBL3665428 0.85 ALOX5 (0.55) ESR1ESR2CYP2A6MAPK1ALDH1A1
SCHEMBL31255706 0.85 ALOX5 (0.55) ESR1ESR2CYP2A6MAPK1ALDH1A1
SCHEMBL21577244 0.84 ALDH1A1 (0.62) CYP2A6MAPK1ALDH1A1MAOBKDM4E
SCHEMBL25388396 0.83 ALDH1A1 (0.50) ESR1ESR2CYP2A6MAPK1ALDH1A1

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-8790792-B2 Organic electroluminescent device SEIKO EPSON CORPORATION (JP) 2014-07-29 — — US disclosed
US-8277955-B2 Aromatic polymer molecule containing a light-emitting molecule for determining a luminescent color region of the light-emitting material, and molecules of polyarylenes and benzene; polyelectrolytes SEIKO EPSON CORPORATION (JP) 2012-10-02 — — US disclosed
US-20080241592-A1 ORGANIC ELECTROLUMINESCENT DEVICE SEIKO EPSON CORPORATION (JP) 2008-10-02 — — US disclosed
US-20080090102-A1 COMPOUND FOR ORGANIC EL DEVICE AND ORGANIC EL DEVICE SEIKO EPSON CORPORATION (JP) 2008-04-17 — — US disclosed
Send feedback