SCHEMBL8567546

SCHEMBL8567546

FC(F)C(F)(F)COc1ccn[c]n1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CFTR P13569 4/20 0.35
MAPK1 P28482 1/20 0.32

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
SCHEMBL7701584 0.83 L3MBTL1 (0.39) KMT2ASMN1; SMN2MAPK1
SCHEMBL559215 0.76
SCHEMBL10827611 0.71
SCHEMBL12471562 0.70 NISCH (0.32)
SCHEMBL533305 0.70
SCHEMBL6965549 0.70
SCHEMBL5610595 0.69 CFTR (0.35) HTTKMT2ASMN1; SMN2CFTRMAPK1
SCHEMBL5981910 0.68 CFTR (0.37) HTTKMT2ASMN1; SMN2CFTRMAPK1
SCHEMBL5759567 0.66 HDAC1 (0.31)
SCHEMBL8567670 0.66 KDM4E (0.36) KMT2ASMN1; SMN2MAPK1

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
EP-0586393-B1 SUBSTITUTED-2-PHENYL-3-METHOXYPROPENOATES AS FUNGICIDES ZENECA LTD (GB) 1998-06-17 EP claimed
US-5439910-A For applying to plants, seeds or soils ZENECA LIMITED (GB) 1995-08-08 US claimed