SCHEMBL20444556

SCHEMBL20444556

Brc1cccc2cccc(N3c4ccc(-c5ccccc5)cc4Sc4cc(-c5ccccc5)ccc43)c12

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDE6D O43924 1/20 0.41
▸ BCHE P06276 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ ADRA2A P08913 1/20 0.30
▸ ADRA2B P18089 1/20 0.30
▸ ADRA2C P18825 1/20 0.30
▸ CHRM3 P20309 1/20 0.30
▸ SLC6A2 P23975 1/20 0.30
▸ HTR2C P28335 1/20 0.30
▸ SLC6A4 P31645 1/20 0.30
▸ DRD3 P35462 1/20 0.30
▸ HTR2B P41595 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ NOX1 Q9Y5S8 1/20 0.30

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
SCHEMBL20444741 0.82 MAOA (0.41) BCHENOX1
SCHEMBL17954494 0.81 PDE6D (0.39) PDE6DALDH1A1
SCHEMBL20444373 0.81 PDE6D (0.33) PDE6D
SCHEMBL16629673 0.79 PDE6D (0.37) PDE6DALDH1A1HTR2CSLC6A4
SCHEMBL20444376 0.76 PDE6D (0.42) PDE6DALDH1A1MAPK1
SCHEMBL13827548 0.73 FAAH (0.44) PDE6DBCHEALDH1A1MEN1ADRA2A
SCHEMBL5201007 0.73 BCHE (0.46) BCHEMAPK1MEN1ADRA2AADRA2B
SCHEMBL20424589 0.70 PDE6D (0.38) PDE6DALDH1A1MAPK1MEN1KMT2A
SCHEMBL29843509 0.70 PDE6D (0.38) PDE6DALDH1A1MAPK1MEN1KMT2A
SCHEMBL21578524 0.70 FAAH (0.44) PDE6DBCHEALDH1A1MEN1ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3573985-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-01-18 — — EP disclosed
WO-2018138306-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2018-08-02 — — WO disclosed
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