SCHEMBL17622372

SCHEMBL17622372

O=C1c2cccc(-n3c4ccccc4c4ccccc43)c2C(=O)N1c1ccccc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CASP1 P29466 1/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
GRM1 Q13255 3/20 0.37
GRM4 Q14833 3/20 0.37
NR1H3 Q13133 1/20 0.36
CDC25B P30305 1/20 0.36
LMNA P02545 1/20 0.36
CFTR P13569 2/20 0.35

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
SCHEMBL17622233 0.87 POLB (0.42) POLBALDH1A1HTTMAPTGRM1
SCHEMBL17622290 0.86 POLB (0.51) POLBALDH1A1L3MBTL1HTTKDM4E
SCHEMBL19842380 0.85 NR1H2 (0.44) POLBALDH1A1L3MBTL1CASP1HTT
SCHEMBL19848828 0.84 HSPA1A (0.48) POLBALDH1A1L3MBTL1HTTKDM4E
SCHEMBL19848838 0.83 HSPA1A (0.44) POLBALDH1A1L3MBTL1HTTKDM4E
SCHEMBL19842444 0.82 NR1H2 (0.36) POLBALDH1A1L3MBTL1HTTNR1H3
SCHEMBL17622327 0.82 LMNA (0.46) POLBNR1H3LMNA
SCHEMBL19842428 0.81 PDE6D (0.46) POLBALDH1A1L3MBTL1HTTKDM4E
SCHEMBL17622328 0.81 HSPA1A (0.50) POLBALDH1A1L3MBTL1HTTKDM4E
SCHEMBL23515890 0.81 NR1H2 (0.47) POLBALDH1A1CASP1HTTGRM1

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-10651394-B2 Organic molecules for use as emitters CYNORA GMBH (DE) 2020-05-12 US disclosed
EP-3246373-A1 ORGANIC MOLECULES FOR USE AS EMITTERS cynora GmbH (DE) 2017-11-22 EP disclosed
US-20170288149-A1 ORGANIC MOLECULES FOR USE AS EMITTERS CYNORA GMBH (DE) 2017-10-05 US disclosed
WO-2016042070-A1 ORGANIC MOLECULES FOR USE AS EMITTERS CYNORA GMBH (DE) 2016-03-24 WO disclosed