SCHEMBL4707121

SCHEMBL4707121

Nc1ccc(N2CC(F)(F)C2)c(F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.54
MAPT P10636 9/20 0.54
GFER P55789 4/20 0.54
LMNA P02545 3/20 0.54
MAPK1 P28482 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
POLB P06746 1/20 0.37
GAA P10253 4/20 0.36
MEN1 O00255 3/20 0.36
THRB P10828 3/20 0.36
KMT2A Q03164 3/20 0.36
NR4A1 P22736 1/20 0.36
PTK2B Q14289 1/20 0.36
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 4/20 0.34
RAD52 P43351 2/20 0.34
SLC6A9 P48067 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34

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
SCHEMBL3011234 0.82 ALDH1A1 (0.59) ALDH1A1MAPTGFERLMNAMAPK1
SCHEMBL13724795 0.81 MAPT (0.50) ALDH1A1MAPTGFERLMNAMAPK1
SCHEMBL17265648 0.80 ALDH1A1 (0.77) ALDH1A1MAPTGFERLMNAMAPK1
SCHEMBL25091068 0.80 ALDH1A1 (0.49) ALDH1A1MAPTGFERLMNAMAPK1
SCHEMBL18410807 0.80 MAPT (0.49) ALDH1A1MAPTGFERLMNAMAPK1
SCHEMBL22171267 0.79 ALDH1A1 (0.46) ALDH1A1MAPTGFERLMNAMAPK1
SCHEMBL14898020 0.77 MAPT (0.67) ALDH1A1MAPTGFERLMNAMAPK1
SCHEMBL3442442 0.77 ALDH1A1 (0.67) ALDH1A1MAPTGFERLMNAMAPK1
SCHEMBL7038110 0.77 ALDH1A1 (0.67) ALDH1A1MAPTGFERLMNAMAPK1
SCHEMBL4918379 0.76 ALDH1A1 (0.65) ALDH1A1MAPTGFERLMNAMAPK1

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-1902048-A1 OXAZOLIDINONE CARBOXAMIDES CONTAINING AZETIDINE AND CYCLOBUTANE AS ANTIBACTERIAL AGENTS Pharmacia & Upjohn Company LLC (US) 2008-03-26 EP disclosed
WO-2007004037-A1 OXAZOLIDINONE CARBOXAMIDES CONTAINING AZETIDINE AND CYCLOBUTANE AS ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2007-01-11 WO disclosed