SCHEMBL8743549

SCHEMBL8743549

Nc1ccn(CC(F)(F)CCOCc2ccccc2)c(=O)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
FGFR1 P11362 5/20 0.34
SLC22A6 Q4U2R8 1/20 0.34
MAPK14 Q16539 3/20 0.33
UGCG Q16739 2/20 0.33
GBA2 Q9HCG7 2/20 0.33
GBA1 P04062 1/20 0.33
SI P14410 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL8743569 0.77 FGFR1 (0.42) FGFR1SLC22A6HDAC1HDAC6EP300
SCHEMBL14639387 0.73 FGFR1 (0.42) FGFR1SLC22A6HDAC1HDAC6EP300
SCHEMBL13947 0.72 EP300 (0.36) MAOAMAOBFGFR1SLC22A6EP300
SCHEMBL8743576 0.72 MAOA (0.36) MAOAMAOBFGFR1SLC22A6KDM4E
SCHEMBL9836693 0.72 MAPK1 (0.52) MAOAMAOBTSHRALDH1A1SMN1; SMN2
SCHEMBL248682 0.72 EP300 (0.49) MAPK14KDM4EEP300ALDH1A1HTT
SCHEMBL9652263 0.71 FGFR1 (0.43) FGFR1SLC22A6MAPK14EP300TSHR
SCHEMBL8743582 0.71 MAOA (0.37) MAOAMAOBFGFR1SLC22A6HDAC3
SCHEMBL16978939 0.70 FGFR1 (0.42) FGFR1SLC22A6EP300
SCHEMBL9836818 0.70 TSHR (0.48) KDM4EPOLBTSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0335770-B1 Novel fluorophosphonate nucleotide derivatives MERRELL PHARMA INC (US) 1997-01-15 EP disclosed
EP-0339161-A1 Novel fluorophosphonate nucleotide derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1989-11-02 EP disclosed
EP-0335770-A2 Novel fluorophosphonate nucleotide derivatives MERRELL PHARMACEUTICALS INC. (US) 1989-10-04 EP disclosed