SCHEMBL29310364

SCHEMBL29310364

N#C/C(=C1C(=C(\C#N)c2c(F)c(F)c(C#N)c(F)c2F)C\1=C(\C#N)c1c(F)c(F)c(C#N)c(F)c1F)c1c(C(F)(F)F)cc(C#N)cc1C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.34
▸ KDM4E B2RXH2 3/20 0.33
▸ TRPV4 Q9HBA0 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.31
▸ GLA P06280 2/20 0.31
▸ GAA P10253 2/20 0.31
▸ HPGD P15428 2/20 0.31
▸ TP53 P04637 1/20 0.31
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2C19 P33261 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
SCHEMBL25678776 0.96 KIF11 (0.33) KIF11KDM4ETRPV4ALDH1A1GLA
SCHEMBL29311914 0.95 KIF11 (0.31) KIF11KDM4ETRPV4
SCHEMBL25678722 0.92 AR (0.31) KIF11KDM4ETRPV4
SCHEMBL29310243 0.91 KDM4E (0.33) KIF11KDM4EALDH1A1GLAGAA
SCHEMBL24831604 0.85 TRPV4 (0.37) KIF11KDM4ETRPV4
SCHEMBL25678763 0.84 AR (0.33) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL21917677 0.81 KDM4E (0.33) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL24831611 0.81 TRPV4 (0.34) KIF11TRPV4
SCHEMBL29310391 0.80 — —
SCHEMBL25678750 0.80 KDM4E (0.32) KDM4EALDH1A1GLAGAAHPGD

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
US-20240237509-A1 ORGANIC ELECTROLUMINESCENT DEVICE AND A DISPLAY DEVICE COMPRISING THE ORGANIC ELECTROLUMINESCENT DEVICE NOVALED GMBH (DE) 2024-07-11 — — US disclosed
US-20240237509-A1 ORGANIC ELECTROLUMINESCENT DEVICE AND A DISPLAY DEVICE COMPRISING THE ORGANIC ELECTROLUMINESCENT DEVICE NOVALED GMBH (DE) 2024-07-11 — — US disclosed
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