SCHEMBL4946855

SCHEMBL4946855

N#C[C]1CC=Cc2c(C#N)cccc21

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
MCL1 Q07820 1/20 0.32
TSHR P16473 1/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
PDK2 Q15119 1/20 0.30
PNMT P11086 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
USP8 P40818 1/20 0.30
USP7 Q93009 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
SCHEMBL286721 0.76 CA1 (0.44) TSHRCA1CA2PNMTKDM4E
SCHEMBL28926913 0.74 CA1 (0.43) TSHRCA1CA2PNMTKDM4E
SCHEMBL17185656 0.72 CA1 (0.44) TSHRCA1CA2KDM4EALDH1A1
SCHEMBL29188925 0.68 CDC25B (0.44) ESR2NISCHMCL1TSHRCA1
SCHEMBL10335785 0.66 CA1 (0.42) MCL1TSHRCA1CA2PNMT
SCHEMBL5886453 0.66 PTPRC (0.45) ESR2MCL1TSHRCA1CA2
SCHEMBL27612514 0.64 CYP2B6 (0.40) TSHRCA1CA2KDM4EALDH1A1
SCHEMBL820828 0.63 ESR2 (0.42) ESR2NISCHMCL1TSHRCA1
SCHEMBL3213171 0.63 TSHR (0.42) ESR2NISCHTSHRCA1CA2
SCHEMBL5576916 0.62 MEN1 (0.50) ESR2NISCHMCL1TSHRCA1

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
EP-1072669-B1 Organic electroluminescent device SONY CORP (JP) 2008-09-03 EP disclosed
US-6680131-B1 Organic electroluminescent device SONY CORPORATION (JP) 2004-01-20 US disclosed
EP-1072669-A2 Organic electroluminescent device SONY CORPORATION (JP) 2001-01-31 EP disclosed