SCHEMBL18138302

SCHEMBL18138302

CC(C)(C)OC(=O)Nc1nn(CCCOS(C)(=O)=O)cc1[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 3/20 0.34
MMP2 P08253 3/20 0.34
MMP9 P14780 3/20 0.34
MMP8 P22894 3/20 0.34
MMP13 P45452 3/20 0.34
GSTP1 P09211 1/20 0.32
GSTM2 P28161 1/20 0.32
PRMT1 Q99873 1/20 0.32
ALOX5 P09917 1/20 0.32
ALDH1A1 P00352 1/20 0.32
BRD4 O60885 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL18131174 0.94 MMP1 (0.35) MMP1MMP2MMP9MMP8MMP13
SCHEMBL18138290 0.88 IRAK4 (0.35) GSTP1GSTM2PRMT1ALDH1A1BRD4
SCHEMBL18138300 0.85 PRMT1 (0.35) GSTP1GSTM2PRMT1ALDH1A1BRD4
SCHEMBL18138287 0.84 DUT (0.34) GSTP1GSTM2PRMT1ALDH1A1BRD4
SCHEMBL18138228 0.83 LMNA (0.37) GSTP1GSTM2PRMT1ALDH1A1
SCHEMBL18138351 0.83 PRMT1 (0.36) GSTP1GSTM2PRMT1ALDH1A1BRD4
SCHEMBL18138301 0.82 ALDH1A1 (0.35) MMP1MMP2MMP9MMP8MMP13
SCHEMBL18138283 0.80 PRMT1 (0.34) MMP1MMP2MMP9MMP8MMP13
SCHEMBL18138350 0.80 GSTP1 (0.33) GSTP1GSTM2PRMT1ALDH1A1BRD4
SCHEMBL18131172 0.80 PRMT1 (0.36) MMP1MMP2MMP9MMP8MMP13

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