SCHEMBL6674061

SCHEMBL6674061

Cc1cc2nc(NCCN3CCOCC3)n[n+]([O-])c2cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TSHR P16473 2/20 0.42
ACHE P22303 2/20 0.41
APP P05067 1/20 0.41
BCHE P06276 1/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPK1 P28482 1/20 0.41
LMNA P02545 3/20 0.41
HSD17B10 Q99714 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GRK6 P43250 1/20 0.41
CYP3A4 P08684 4/20 0.41
CYP2D6 P10635 3/20 0.41
CHRM1 P11229 2/20 0.41
CYP1A2 P05177 2/20 0.41
TDP1 Q9NUW8 2/20 0.41

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
SCHEMBL6674272 0.93 ALDH1A1 (0.47) MEN1KMT2AALDH1A1MAPK1LMNA
SCHEMBL6677381 0.88 APP (0.48) MEN1KMT2ATSHRACHEAPP
SCHEMBL2250349 0.84 USP2 (0.42) MEN1KMT2ATSHRACHEAPP
SCHEMBL6674324 0.83 PIK3CA (0.48) TSHRALDH1A1LMNAHSD17B10KDM4E
SCHEMBL6679544 0.83 MEN1 (0.42) MEN1KMT2ATSHRACHEBCHE
SCHEMBL6675831 0.83 GRK6 (0.43) MEN1KMT2ATSHRACHEAPP
SCHEMBL6679149 0.82 TSHR (0.55) MEN1KMT2ATSHRACHEBCHE
SCHEMBL2243857 0.82 USP2 (0.40) MEN1KMT2ATSHRACHEAPP
SCHEMBL6674860 0.82 PIK3CA (0.48) TSHRALDH1A1LMNAHSD17B10MAPT
SCHEMBL2777052 0.81 ALDH1A1 (0.52) MEN1KMT2AACHEAPPBCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1468688-A2 Benzoazine mono-N-oxides and benzoazine 1,4 dioxides and compositions therefrom for the therapeutic use in cancer treatments Auckland Uniservices Limited (NZ) 2004-10-20 EP disclosed