SCHEMBL8674339

SCHEMBL8674339

COC(=O)c1ccc2cc([N+](=O)[O-])c3ccc(C(=O)OC)nc3c2n1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSB P07858 6/20 0.48
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PTGER4 P35408 1/20 0.40
VCAM1 P19320 1/20 0.39
CTSH P09668 1/20 0.39
APP P05067 1/20 0.38
LCK P06239 1/20 0.37
PIM3 Q86V86 1/20 0.37
LMNA P02545 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
KMT2A Q03164 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
SCHEMBL8673214 0.83 MAPT (0.47) CTSBMAPTALDH1A1L3MBTL1CTSH
SCHEMBL8677060 0.81 PTGER4 (0.39) CTSBMAPTALDH1A1PTGER4APP
SCHEMBL8672851 0.77 NQO2 (0.43) MAPTALDH1A1PTGER4LCKKDM4E
SCHEMBL8677062 0.77 GRM2 (0.43) MAPTALDH1A1LMNAKDM4EMEN1
SCHEMBL4995737 0.75 MAPK1 (0.50) MAPTL3MBTL1PTGER4LCKKDM4E
SCHEMBL8548121 0.75 CTSB (0.60) CTSBMAPTALDH1A1L3MBTL1CTSH
SCHEMBL25320720 0.74 SIRT6 (0.43) MAPTALDH1A1VCAM1LMNAKDM4E
SCHEMBL31413102 0.74 SIRT6 (0.43) MAPTALDH1A1VCAM1LMNAKDM4E
SCHEMBL11388218 0.74 ALDH1A1 (0.42) MAPTALDH1A1L3MBTL1VCAM1LMNA
SCHEMBL4934807 0.73 MAPT (0.41) MAPTALDH1A1VCAM1LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5827653-A COMPLEMENTARY PROBE HYBRIDIZATION AND FORMATION OF A CHELATED LANTHANIDE COMPLEX, WHICH UPON IRRADIATION BY LIGHT, RESULTS IN A CHARACTERISTIC DELAYED LUMINESCENCE EMISSION ZENECA LIMITED (GB) 1998-10-27 US disclosed
EP-0720659-A1 NUCLEIC ACID DETECTION WITH ENERGY TRANSFER ZENECA LIMITED (GB) 1996-07-10 EP disclosed
WO-1995008642-A1 NUCLEIC ACID DETECTION WITH ENERGY TRANSFER ZENECA LIMITED (GB) 1995-03-30 WO disclosed