SCHEMBL6014286

SCHEMBL6014286

CCOC(=O)c1cc2cc3c(cc2nc1-c1cc([N+](=O)[O-])ccc1NC(N)=O)OCO3

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.46
ALDH1A1 P00352 8/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 5/20 0.41
HPGD P15428 3/20 0.41
TP53 P04637 1/20 0.41
CFTR P13569 1/20 0.41
LMNA P02545 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
JAK2 O60674 1/20 0.38
JAK3 P52333 1/20 0.38
HSD17B10 Q99714 1/20 0.37
GALR2 O43603 1/20 0.37
MITF O75030 1/20 0.37
POLB P06746 1/20 0.37
HSP90AA1 P07900 1/20 0.37
XBP1 P17861 1/20 0.37
CCR6 P51684 1/20 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
SCHEMBL6014251 0.88 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1KMT2AMEN1HTT
SCHEMBL6014272 0.87 LMNA (0.41) SMN1; SMN2ALDH1A1KMT2AMEN1HTT
SCHEMBL6014270 0.87 LMNA (0.41) SMN1; SMN2ALDH1A1KMT2AMEN1HTT
SCHEMBL6014229 0.86 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1KMT2AMEN1MAPT
SCHEMBL6014309 0.86 TSHR (0.44) SMN1; SMN2ALDH1A1KMT2AMEN1HTT
SCHEMBL6016092 0.85 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1KMT2AMEN1HTT
SCHEMBL6014275 0.85 DHODH (0.42) SMN1; SMN2ALDH1A1KMT2AMEN1HTT
SCHEMBL6014258 0.84 L3MBTL1 (0.39) SMN1; SMN2ALDH1A1KMT2AMEN1HTT
SCHEMBL6014254 0.83 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1KMT2AMEN1MAPT
SCHEMBL6014234 0.81 MAPT (0.40) SMN1; SMN2ALDH1A1KMT2AMEN1HTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006128268-A1 UREIDIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND THEIR USE ON THE TREATMENT OF INFLAMMATORY DISEASES UNIVERSIDADE FEDERAL DO RIO DE JANEIRO - UFRJ (BR) 2006-12-07 WO claimed
WO-2006128268-A1 UREIDIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND THEIR USE ON THE TREATMENT OF INFLAMMATORY DISEASES UNIVERSIDADE FEDERAL DO RIO DE JANEIRO - UFRJ (BR) 2006-12-07 WO disclosed