SCHEMBL18138283

SCHEMBL18138283

CN(C)CCn1cc([N+](=O)[O-])c(NC(=O)OC(C)(C)C)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 1/20 0.34
IRAK4 Q9NWZ3 3/20 0.34
MAPK14 Q16539 1/20 0.34
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GSTP1 P09211 1/20 0.32
GSTM2 P28161 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP13 P45452 1/20 0.32
IRAK1 P51617 1/20 0.32
KCNH2 Q12809 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
SCHEMBL18138301 0.94 ALDH1A1 (0.35) PRMT1IRAK4MAPK14L3MBTL1ALDH1A1
SCHEMBL18138351 0.87 PRMT1 (0.36) PRMT1MAPK14L3MBTL1ALDH1A1MEN1
SCHEMBL18138228 0.85 LMNA (0.37) PRMT1IRAK4L3MBTL1ALDH1A1MEN1
SCHEMBL18138300 0.85 PRMT1 (0.35) PRMT1MAPK14L3MBTL1ALDH1A1MEN1
SCHEMBL18131172 0.84 PRMT1 (0.36) PRMT1L3MBTL1ALDH1A1MEN1MAPT
SCHEMBL18131254 0.83 L3MBTL1 (0.40) L3MBTL1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL18138290 0.83 IRAK4 (0.35) PRMT1IRAK4L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL21753654 0.82 L3MBTL1 (0.42) PRMT1L3MBTL1ALDH1A1MEN1MAPT
SCHEMBL18138350 0.82 GSTP1 (0.33) PRMT1MAPK14L3MBTL1ALDH1A1MEN1
SCHEMBL18131174 0.82 MMP1 (0.35) PRMT1L3MBTL1ALDH1A1GSTP1GSTM2

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-2016164754-A1 FGFR4 INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-10-13 WO disclosed