SCHEMBL25991269

SCHEMBL25991269

CCc1cc(C#N)c(C#N)cc1C#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 2/20 0.39
▸ PDE3A Q14432 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CYP2A6 P11509 1/20 0.34
▸ AR P10275 4/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ MAPT P10636 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ USP8 P40818 1/20 0.33
▸ USP7 Q93009 1/20 0.33
▸ SNCA P37840 1/20 0.33
▸ MAOA P21397 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32

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
SCHEMBL2153696 0.95 PDE3B (0.41) PDE3BPDE3AL3MBTL1MEN1KMT2A
SCHEMBL4111244 0.90 L3MBTL1 (0.38) PDE3BPDE3AL3MBTL1MEN1KMT2A
SCHEMBL12959691 0.87 PDE3B (0.35) PDE3BPDE3AL3MBTL1MEN1KMT2A
SCHEMBL12060332 0.82 TRPV4 (0.36) PDE3BPDE3AL3MBTL1MEN1KMT2A
SCHEMBL23797211 0.81 L3MBTL1 (0.45) PDE3BPDE3AL3MBTL1MEN1KMT2A
SCHEMBL11809454 0.81 PDE3B (0.34) PDE3BPDE3AL3MBTL1MEN1KMT2A
SCHEMBL22188019 0.79 TRPV4 (0.42) PDE3BPDE3AL3MBTL1MEN1KMT2A
SCHEMBL27609112 0.78 SNCA (0.33) PDE3BPDE3AL3MBTL1MEN1KMT2A
SCHEMBL12959692 0.78 L3MBTL1 (0.40) PDE3BPDE3AL3MBTL1MEN1KMT2A
SCHEMBL15417774 0.76 L3MBTL1 (0.41) PDE3BPDE3AL3MBTL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023148215-A1 3,6-BIS(CYANOMETHYLIDENE)CYCLOHEXA-1,4-DIENE COMPOUNDS AND THEIR USE IN ORGANIC ELECTRONIC DEVICES NOVALED GMBH (DE) 2023-08-10 — — WO disclosed
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