SCHEMBL29310243

SCHEMBL29310243

Cc1cc(C#N)cc(C(F)(F)F)c1/C(C#N)=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

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ KIF11 P52732 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
SCHEMBL29310364 0.91 KIF11 (0.34) KDM4EALDH1A1TP53GLAGAA
SCHEMBL29310391 0.88 — —
SCHEMBL25678776 0.87 KIF11 (0.33) KDM4EALDH1A1TP53GLAGAA
SCHEMBL29311914 0.86 KIF11 (0.31) KDM4EKIF11
SCHEMBL25678722 0.86 AR (0.31) KDM4EKIF11
SCHEMBL25732039 0.83 AR (0.35) —
SCHEMBL24831611 0.80 TRPV4 (0.34) KIF11
SCHEMBL24831604 0.80 TRPV4 (0.37) KDM4EKIF11
SCHEMBL25732440 0.77 AR (0.32) —
SCHEMBL29310299 0.77 ALDH1A1 (0.32) KDM4EALDH1A1TP53GLAGAA

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
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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