SCHEMBL8662964

SCHEMBL8662964

C[N+](C)(C)CCOC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.54
BCL9 O00512 1/20 0.51
CTNNB1 P35222 1/20 0.51
MAPT P10636 3/20 0.50
GAA P10253 1/20 0.50
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
MGLL Q99685 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KMT2A Q03164 2/20 0.43
PKM P14618 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
THRB P10828 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL409598 0.86 HTR2A (0.59) HTR2ABCL9CTNNB1MAPTGAA
SCHEMBL8900906 0.86 BCL9 (0.63) HTR2ABCL9CTNNB1MAPTGAA
SCHEMBL13033879 0.85 HTR2A (0.56) HTR2ABCL9CTNNB1MAPTGAA
SCHEMBL2597400 0.84 BCL9 (0.63) HTR2ABCL9CTNNB1MAPTGAA
SCHEMBL763025 0.83 HTR2A (0.57) HTR2ABCL9CTNNB1MAPTGAA
SCHEMBL13033882 0.83 HTR2A (0.61) HTR2AMAPTCRHBPCRHR2L3MBTL1
SCHEMBL1144551 0.82 MGLL (0.62) HTR2ABCL9CTNNB1MAPTGAA
SCHEMBL409084 0.82 HTR2A (0.56) HTR2ABCL9CTNNB1MAPTGAA
Hydrochloric Acid SCHEMBL30544551 0.82 BCL9 (0.61) HTR2ABCL9CTNNB1MAPTGAA
SCHEMBL4433836 0.82 HTR2A (0.56) HTR2ABCL9CTNNB1MAPTGAA

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
US-5807688-A ANTIBODY DIRECTED ANZYME PRODRUG THERAPY ZENECA LIMITED (GB) 1998-09-15 US disclosed
EP-0745673-A2 Catalytic antibody regulated prodrug therapy ZENECA LIMITED (GB) 1996-12-04 EP disclosed