SCHEMBL15548874

SCHEMBL15548874

CCOC(=O)CC(C[N+](=O)[O-])c1cc(F)c(F)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.40
LMNA P02545 4/20 0.40
KDM4E B2RXH2 3/20 0.40
F10 P00742 4/20 0.34
F2 P00734 4/20 0.34
ALDH1A1 P00352 5/20 0.33
CYP2C19 P33261 2/20 0.33
PRSS1 P07477 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
KMT2A Q03164 1/20 0.32
MITF O75030 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
SCHEMBL20475355 0.90 MAPT (0.39) MAPTLMNAKDM4EF10F2
SCHEMBL20475329 0.88 MAPT (0.41) MAPTLMNAKDM4EF10F2
SCHEMBL20475388 0.87 KDM4E (0.44) MAPTLMNAKDM4EF10F2
SCHEMBL20475336 0.84 KDM4E (0.41) MAPTLMNAKDM4EF10F2
SCHEMBL1269176 0.83 MAPT (0.46) MAPTLMNAKDM4EF10F2
SCHEMBL20475321 0.83 MAPT (0.37) MAPTLMNAKDM4EF10F2
SCHEMBL1269119 0.81 F10 (0.43) MAPTLMNAKDM4EF10F2
SCHEMBL9294262 0.80 F2 (0.50) MAPTLMNAKDM4EF10F2
SCHEMBL6556296 0.79 ALDH1A1 (0.44) MAPTLMNAKDM4EALDH1A1CYP2C19
SCHEMBL1269175 0.78 MAPT (0.39) MAPTLMNAKDM4EF10F2

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
WO-2014015675-A1 NOVEL HETEROARYL AND HETEROCYCLE COMPOUNDS, COMPOSITIONS AND METHODS HUTCHISON MEDIPHARMA LIMITED (CN) 2014-01-30 WO disclosed
WO-2014012563-A1 COMPOUNDS FOR ENHANCING THE COGNITIVE FUNCTION UCB PHARMA, S.A. (BE) 2014-01-23 WO disclosed