SCHEMBL5013201

SCHEMBL5013201

CC1=C(C(F)(F)F)C(=O)C(F)=C(C#N)C1=O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 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
SCHEMBL28087222 0.72
SCHEMBL28087226 0.70
SCHEMBL12197358 0.67 ALOX15 (0.35) KDM4EGAA
SCHEMBL14395023 0.64 ALOX15 (0.33) KDM4EGAA
SCHEMBL28087315 0.62
SCHEMBL24227316 0.61
SCHEMBL29005930 0.61
SCHEMBL13606241 0.59 KDM4E (0.31) KDM4EALDH1A1TP53GAAHPGD
SCHEMBL23463939 0.57
SCHEMBL11104536 0.56 MEN1 (0.39) KDM4EALDH1A1GAAHPGD

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
EP-1538684-B1 Process for doping organic semiconductors with derivatives of dioxaborine NOVALED AG (DE) 2008-12-10 EP claimed