SCHEMBL8743576

SCHEMBL8743576

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
MPO P05164 1/20 0.33
TPO P07202 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NR4A2 P43354 1/20 0.32
MAPK1 P28482 1/20 0.32
PTPN2 P17706 1/20 0.32
PTPN1 P18031 1/20 0.32
PTPN6 P29350 1/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
FGFR1 P11362 1/20 0.31
PDE2A O00408 1/20 0.31
TSHR P16473 1/20 0.31
SLC22A6 Q4U2R8 1/20 0.31
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TAAR1 Q96RJ0 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
SCHEMBL8743535 0.90 KDM4E (0.35) MAOAMAOBMPOTPOCYP3A4
SCHEMBL8743582 0.83 MAOA (0.37) MAOAMAOBMPOTPOCYP3A4
SCHEMBL8743542 0.81 MAPT (0.36) MAOAMAOBALDH1A1MAPK1TSHR
SCHEMBL9652268 0.81 MAPK1 (0.38) MAOAMAOBMPOTPOCYP3A4
SCHEMBL8743556 0.81 FGFR1 (0.39) FGFR1SLC22A6
SCHEMBL8743537 0.79 MAOB (0.34) MAOAMAOBNR4A2MAPK1PDE2A
SCHEMBL8743558 0.74 PNP (0.50) CYP3A4ALDH1A1TSHRSMN1; SMN2
SCHEMBL8743583 0.74 HDAC6 (0.38) MAOAMAOBCYP3A4ALDH1A1PDE2A
SCHEMBL8743561 0.73 MAPT (0.35) MAOAMAOBALDH1A1MAPK1TSHR
SCHEMBL8743549 0.72 MAOA (0.35) MAOAMAOBMPOTPOCYP3A4

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