SCHEMBL5139434

SCHEMBL5139434

FC(F)(F)n1ccc(Cl)n1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
DYRK1A Q13627 1/20 0.31
DYRK2 Q92630 1/20 0.31
ADCY10 Q96PN6 1/20 0.31

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
SCHEMBL12371025 0.76 KDM4E (0.30) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL26714829 0.71
SCHEMBL16457429 0.71 MAPT (0.38) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL2528824 0.71 PRMT6 (0.38)
SCHEMBL2148852 0.71 ALDH1A1 (0.35) ALDH1A1
SCHEMBL31180305 0.71
SCHEMBL16986458 0.70 SCN9A (0.41) ALDH1A1SMN1; SMN2
SCHEMBL18029607 0.69 ALDH1A1 (0.31) ALDH1A1
SCHEMBL24960021 0.68 CYP4F2 (0.36)
SCHEMBL26846624 0.68

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-2008091594-A2 FUNGICIDAL MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-31 WO disclosed