SCHEMBL19554358

SCHEMBL19554358

N#Cc1cc(C(=O)O)c(N)cc1OC1COC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
TBK1 Q9UHD2 2/20 0.35
IKBKE Q14164 1/20 0.35
KMO O15229 2/20 0.34
PRKAB2 O43741 1/20 0.34
PRKAG1 P54619 1/20 0.34
PRKAA2 P54646 1/20 0.34
PRKAA1 Q13131 1/20 0.34
PRKAG3 Q9UGI9 1/20 0.34
PRKAG2 Q9UGJ0 1/20 0.34
PRKAB1 Q9Y478 1/20 0.34
XDH P47989 1/20 0.33
IDO1 P14902 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAP3K5 Q99683 1/20 0.32
MRGPRX4 Q96LA9 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
SCHEMBL19554255 0.80 KEAP1 (0.38) MAPK8MAPK9KMOPRKAB2PRKAG1
SCHEMBL6483619 0.76 ALDH1A1 (0.47) ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL19554245 0.75 XDH (0.48) XDH
SCHEMBL19555101 0.73 SLC22A12 (0.39) TBK1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL19554311 0.72 AKR1A1 (0.35) MAPK8MAPK9TBK1MBOAT4
SCHEMBL19554261 0.72 XDH (0.46) MAPK8MAPK9XDHALDH1A1HPGD
SCHEMBL19554322 0.72 KDM4E (0.48) ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL15320457 0.72 KDM4E (0.54) TBK1IKBKEALDH1A1HPGDKDM4E
SCHEMBL19555383 0.71 IRAK4 (0.37) TBK1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL19554194 0.70 PDE5A (0.39)

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-2017192304-A1 ARYLCARBOXAMIDES AND USES THEREOF INCEPTION 1, INC. (US) 2017-11-09 WO disclosed