SCHEMBL6158152

SCHEMBL6158152

CCOC(=O)CN(C)C(=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
HTT P42858 2/20 0.55
MEN1 O00255 2/20 0.55
GAA P10253 1/20 0.51
ALDH1A1 P00352 5/20 0.50
CES2 O00748 1/20 0.49
CES1 P23141 1/20 0.49
ATM Q13315 1/20 0.48
GLO1 Q04760 1/20 0.48
MAPT P10636 3/20 0.48
RAB9A P51151 1/20 0.48
TP53 P04637 1/20 0.48
G6PD P11413 1/20 0.48
IRAK1 P51617 1/20 0.47
IRAK4 Q9NWZ3 1/20 0.47
LMNA P02545 2/20 0.47
MCOLN3 Q8TDD5 1/20 0.47
TSHR P16473 2/20 0.47
KDM4E B2RXH2 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL9402668 0.89 KMT2A (0.56) KMT2AHTTMEN1GAAALDH1A1
SCHEMBL12310918 0.87 ALDH1A1 (0.52) KMT2AHTTMEN1ALDH1A1CES2
SCHEMBL12263647 0.83 ALDH1A1 (0.60) KMT2AHTTMEN1GAAALDH1A1
SCHEMBL6346629 0.82 TSHR (0.59) KMT2AHTTMEN1ALDH1A1CES2
SCHEMBL12569710 0.81 TDP1 (0.56) KMT2AHTTMEN1ALDH1A1MAPT
SCHEMBL1110091 0.79 KMT2A (0.62) KMT2AHTTMEN1GAAALDH1A1
SCHEMBL6158283 0.79 LMNA (0.46) KMT2AMEN1ALDH1A1LMNAKDM4E
SCHEMBL8103391 0.79 ALDH1A1 (0.53) KMT2AHTTMEN1GAAALDH1A1
SCHEMBL11502864 0.79 ALDH1A1 (0.58) KMT2AHTTMEN1GAAALDH1A1
SCHEMBL3388760 0.78 NPC1 (0.62) KMT2AHTTMEN1GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1178969-B1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS BLACK JAMES FOUNDATION (GB) 2005-07-13 EP disclosed
US-6479531-B1 Gastrin and cholecystokinin receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 2002-11-12 US disclosed
EP-1178969-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2002-02-13 EP disclosed
WO-2000027823-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2000-05-18 WO disclosed