SCHEMBL29310299

SCHEMBL29310299

Cc1cc(C(F)(F)F)c(/C(C#N)=C2C(=C(/C#N)c3c(F)c(C)c(C#N)c(F)c3F)C/2=C(/C#N)c2c(F)c(F)c(C#N)c(C#N)c2F)c(C(F)(F)F)c1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.32
▸ GLA P06280 2/20 0.32
▸ GAA P10253 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ ATM Q13315 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
SCHEMBL29310240 0.92 KDM4E (0.32) ALDH1A1GLAGAAHPGDKDM4E
SCHEMBL25678763 0.83 AR (0.33) ALDH1A1GLAGAAHPGDKDM4E
SCHEMBL25678776 0.83 KIF11 (0.33) ALDH1A1GLAGAAHPGDKDM4E
SCHEMBL19756802 0.80 AR (0.33) —
SCHEMBL22137029 0.80 — —
SCHEMBL26039899 0.79 AR (0.32) —
SCHEMBL29310364 0.79 KIF11 (0.34) ALDH1A1GLAGAAHPGDKDM4E
SCHEMBL25678750 0.79 KDM4E (0.32) ALDH1A1GLAGAAHPGDKDM4E
SCHEMBL25884756 0.78 AR (0.31) —
SCHEMBL25995364 0.78 AR (0.31) —

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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