SCHEMBL4755048

SCHEMBL4755048

C#CC(CCC)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.46
CTNNB1 P35222 1/20 0.46
ALDH1A1 P00352 2/20 0.45
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
PTGS2 P35354 1/20 0.42
MAPT P10636 4/20 0.42
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
MGLL Q99685 2/20 0.41
HTR2A P28223 1/20 0.40

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
SCHEMBL9636015 0.78 MGLL (0.50) BCL9CTNNB1ALDH1A1CA1CA2
SCHEMBL28853177 0.77 BCL9 (0.49) BCL9CTNNB1ALDH1A1CA1CA2
SCHEMBL655939 0.73 PPARG (0.57) BCL9CTNNB1ALDH1A1MAPTCRHBP
SCHEMBL978309 0.73 BCL9 (0.46) BCL9CTNNB1ALDH1A1CA1CA2
SCHEMBL10900567 0.73 HSPB1 (0.43) BCL9CTNNB1ALDH1A1CA1CA2
SCHEMBL15863991 0.73 HSPB1 (0.43) BCL9CTNNB1ALDH1A1CA1CA2
SCHEMBL3697204 0.72 BCL9 (0.44) BCL9CTNNB1ALDH1A1CA1CA2
SCHEMBL2495349 0.72 MGLL (0.50) BCL9CTNNB1ALDH1A1CA1CA2
SCHEMBL28750077 0.72 MGLL (0.51) BCL9CTNNB1ALDH1A1CA1CA2
SCHEMBL10598448 0.72 MGLL (0.52) BCL9CTNNB1ALDH1A1CA1CA2

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-2008152217-A2 PROCESS FOR PREPARING 2-(N-BUTYL)-5-NITROBENZOFURAN FINORGA (FR) 2008-12-18 WO disclosed
WO-2008152217-A2 PROCESS FOR PREPARING 2-(N-BUTYL)-5-NITROBENZOFURAN FINORGA (FR) 2008-12-18 WO disclosed