SCHEMBL18138290

SCHEMBL18138290

COCCCn1cc([N+](=O)[O-])c(NC(=O)OC(C)(C)C)n1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ALDH1A1 P00352 5/20 0.34
HTT P42858 2/20 0.34
LMNA P02545 3/20 0.34
FLT3 P36888 1/20 0.34
RAB9A P51151 2/20 0.34
PRMT1 Q99873 1/20 0.34
GSTP1 P09211 1/20 0.34
GSTM2 P28161 1/20 0.34
NPC1 O15118 1/20 0.34
BRD4 O60885 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL18138228 0.93 LMNA (0.37) IRAK4L3MBTL1ALDH1A1LMNARAB9A
SCHEMBL18138300 0.89 PRMT1 (0.35) L3MBTL1ALDH1A1HTTLMNAPRMT1
SCHEMBL18138302 0.88 MMP1 (0.34) ALDH1A1PRMT1GSTP1GSTM2BRD4
SCHEMBL18138287 0.88 DUT (0.34) L3MBTL1ALDH1A1RAB9APRMT1GSTP1
SCHEMBL18138351 0.86 PRMT1 (0.36) L3MBTL1ALDH1A1PRMT1GSTP1GSTM2
SCHEMBL18138301 0.86 ALDH1A1 (0.35) IRAK4L3MBTL1ALDH1A1LMNAPRMT1
SCHEMBL18131207 0.85 L3MBTL1 (0.41) L3MBTL1ALDH1A1HTTLMNARAB9A
SCHEMBL18138283 0.83 PRMT1 (0.34) IRAK4L3MBTL1ALDH1A1PRMT1GSTP1
SCHEMBL18131174 0.83 MMP1 (0.35) L3MBTL1ALDH1A1PRMT1GSTP1GSTM2
SCHEMBL18138350 0.83 GSTP1 (0.33) L3MBTL1ALDH1A1RAB9APRMT1GSTP1

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