SCHEMBL18138228

SCHEMBL18138228

COCCn1cc([N+](=O)[O-])c(NC(=O)OC(C)(C)C)n1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.37
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
PRMT1 Q99873 1/20 0.35
NPC1 O15118 2/20 0.35
GSTP1 P09211 1/20 0.35
GSTM2 P28161 1/20 0.35
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
GNRHR P30968 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
SCHEMBL18138290 0.93 IRAK4 (0.35) LMNAALDH1A1L3MBTL1RAB9ASMN1; SMN2
SCHEMBL18138351 0.88 PRMT1 (0.36) ALDH1A1L3MBTL1SMN1; SMN2PRMT1GSTP1
SCHEMBL18138350 0.87 GSTP1 (0.33) ALDH1A1L3MBTL1RAB9ASMN1; SMN2PRMT1
SCHEMBL18131174 0.87 MMP1 (0.35) ALDH1A1L3MBTL1PRMT1GSTP1GSTM2
SCHEMBL18138300 0.86 PRMT1 (0.35) LMNAALDH1A1L3MBTL1SMN1; SMN2PRMT1
SCHEMBL18138283 0.85 PRMT1 (0.34) ALDH1A1L3MBTL1SMN1; SMN2PRMT1GSTP1
SCHEMBL18131172 0.85 PRMT1 (0.36) ALDH1A1L3MBTL1RAB9ASMN1; SMN2PRMT1
SCHEMBL18131236 0.84 L3MBTL1 (0.42) LMNAALDH1A1L3MBTL1RAB9ASMN1; SMN2
SCHEMBL18138301 0.84 ALDH1A1 (0.35) LMNAALDH1A1L3MBTL1SMN1; SMN2PRMT1
SCHEMBL18138287 0.83 DUT (0.34) ALDH1A1L3MBTL1RAB9ASMN1; SMN2PRMT1

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