SCHEMBL27258448

SCHEMBL27258448

CCOC(=O)c1nc(OCc2ccccc2)c(CC(C)C)[n+]([O-])c1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
HSP90AA1 P07900 1/20 0.38
GABRA1 P14867 3/20 0.37
GABRG2 P18507 3/20 0.37
GABRB3 P28472 3/20 0.37
GABRA5 P31644 3/20 0.37
GABRA3 P34903 3/20 0.37
GABRA2 P47869 3/20 0.37
GABRP O00591 2/20 0.37
GABRD O14764 2/20 0.37
GABRB1 P18505 2/20 0.37
GABRB2 P47870 2/20 0.37
GABRA4 P48169 2/20 0.37
GABRE P78334 2/20 0.37
GABRA6 Q16445 2/20 0.37
GABRG1 Q8N1C3 2/20 0.37
GABRG3 Q99928 2/20 0.37

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
SCHEMBL9026948 0.92 LMNA (0.39) LMNAL3MBTL1ALDH1A1HPGDRAB9A
SCHEMBL9027006 0.89 ALDH1A1 (0.38) LMNAL3MBTL1ALDH1A1HPGDMAOB
SCHEMBL9026706 0.87 RAB9A (0.39) LMNAL3MBTL1KMT2AMEN1HSP90AA1
SCHEMBL9025794 0.87 MAPT (0.38) LMNAALDH1A1MAPTHPGDRAB9A
SCHEMBL9027220 0.85 PTGS1 (0.39) LMNAL3MBTL1KMT2AMEN1HSP90AA1
SCHEMBL9026029 0.82 ALDH1A1 (0.40) LMNAL3MBTL1ALDH1A1MAPTHPGD
SCHEMBL9026401 0.78 SMN1; SMN2 (0.39) LMNAL3MBTL1KMT2AMEN1GABRA1
SCHEMBL9026581 0.78 ALDH1A1 (0.37) LMNAL3MBTL1GABRA1GABRG2GABRB3
SCHEMBL9026324 0.78 JAK2 (0.36) LMNAL3MBTL1KMT2AMEN1HSP90AA1
SCHEMBL9026486 0.77 ALDH1A1 (0.36) LMNAL3MBTL1ALDH1A1HPGDMAOB

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
CN-1024797-C Indole derivatives OTSUKA CHEMICAL CO LTD (JP) 1994-06-01 CN disclosed