SCHEMBL19255014

SCHEMBL19255014

CCOC(=O)C(=O)NNC(=O)F

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.50
TDP1 Q9NUW8 2/20 0.50
KDM4E B2RXH2 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 1/20 0.49
EGLN1 Q9GZT9 1/20 0.48
ALDH1A1 P00352 4/20 0.46
MAPT P10636 2/20 0.44
MGAM O43451 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
GPR35 Q9HC97 3/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PKM P14618 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
GLO1 Q04760 1/20 0.38

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
SCHEMBL29201470 0.80 EGLN1 (0.55) GAATDP1KDM4ESMN1; SMN2HTT
SCHEMBL3135183 0.80 GAA (0.50) GAATDP1KDM4ESMN1; SMN2HTT
SCHEMBL9150632 0.80 GAA (0.50) GAATDP1KDM4ESMN1; SMN2HTT
SCHEMBL26007510 0.78 GAA (0.49) GAATDP1KDM4ESMN1; SMN2HTT
SCHEMBL23988162 0.77 EGLN1 (0.52) GAATDP1KDM4ESMN1; SMN2HTT
SCHEMBL10893317 0.77 GAA (0.47) GAATDP1KDM4ESMN1; SMN2HTT
SCHEMBL8344696 0.77 GAA (0.47) GAATDP1KDM4ESMN1; SMN2HTT
SCHEMBL26105149 0.76 GAA (0.45) GAATDP1KDM4ESMN1; SMN2HTT
SCHEMBL15659309 0.75 GAA (0.46) GAATDP1KDM4ESMN1; SMN2HTT
SCHEMBL18018774 0.75 GAA (0.46) GAATDP1KDM4ESMN1; SMN2HTT

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
WO-2017136727-A2 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. (US) 2017-08-10 WO disclosed