SCHEMBL8743535

SCHEMBL8743535

Nc1ccn(C(OCCOCc2ccccc2)C(F)(F)COCc2ccccc2)c(=O)n1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
ALDH1A1 P00352 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MAPK1 P28482 1/20 0.33
MAPT P10636 1/20 0.32
MPO P05164 1/20 0.32
TPO P07202 1/20 0.32
CYP3A4 P08684 1/20 0.32
FGFR1 P11362 1/20 0.32
LMNA P02545 1/20 0.32
SLC22A6 Q4U2R8 1/20 0.31
NR4A2 P43354 1/20 0.31
PTPN2 P17706 1/20 0.30
PTPN1 P18031 1/20 0.30
PTPN6 P29350 1/20 0.30
PDE2A O00408 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
SCHEMBL8743576 0.90 MAOA (0.36) KDM4EPOLBMAOAMAOBALDH1A1
SCHEMBL8743561 0.83 MAPT (0.35) MAOAMAOBALDH1A1NPSR1MAPK1
SCHEMBL8743566 0.81 ALDH1A1 (0.34) KDM4EPOLBMAOAMAOBALDH1A1
SCHEMBL8743582 0.80 MAOA (0.37) MAOAMAOBALDH1A1MAPK1MPO
SCHEMBL9652268 0.79 MAPK1 (0.38) MAOAMAOBALDH1A1MAPK1MPO
SCHEMBL8743527 0.74 FGFR1 (0.38) MAPTFGFR1LMNASLC22A6
SCHEMBL8743542 0.73 MAPT (0.36) MAOAMAOBALDH1A1MAPK1MAPT
SCHEMBL8743556 0.71 FGFR1 (0.39) MAPTFGFR1LMNASLC22A6
SCHEMBL8743537 0.71 MAOB (0.34) MAOAMAOBMAPK1NR4A2PDE2A
SCHEMBL8743549 0.70 MAOA (0.35) KDM4EPOLBMAOAMAOBALDH1A1

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-0335770-B1 Novel fluorophosphonate nucleotide derivatives MERRELL PHARMA INC (US) 1997-01-15 EP disclosed