SCHEMBL5795231

SCHEMBL5795231

O=C(O)NNc1c([N+](=O)[O-])cnc2cc(OCc3ccccc3)ccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
BACE1 P56817 1/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ATM Q13315 1/20 0.43
MAOB P27338 1/20 0.43
PIN1 Q13526 2/20 0.42
LMNA P02545 1/20 0.41
AR P10275 1/20 0.41
CTSV O60911 2/20 0.41
CTSL P07711 2/20 0.41
NMT2 O60551 1/20 0.41
NMT1 P30419 1/20 0.41
HDAC3 O15379 1/20 0.41
APP P05067 1/20 0.41
ACHE P22303 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 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
SCHEMBL28757934 0.90 MAOB (0.47) MAPTBACE1MEN1KMT2AMAOB
SCHEMBL5420390 0.88 MEN1 (0.48) MAPTBACE1MEN1KMT2ANPC1
SCHEMBL27643530 0.87 MEN1 (0.43) MAPTBACE1MEN1KMT2ANPC1
SCHEMBL1231888 0.86 MAPT (0.43) MAPTBACE1MEN1KMT2ANPC1
SCHEMBL1231886 0.86 MAPT (0.43) MAPTBACE1MEN1KMT2ANPC1
SCHEMBL1486746 0.85 NPC1 (0.46) MAPTBACE1MEN1KMT2ANPC1
SCHEMBL6807857 0.85 MAPT (0.41) MAPTBACE1MEN1KMT2ANPC1
SCHEMBL311966 0.84 MEN1 (0.43) MAPTBACE1MEN1KMT2ANPC1
SCHEMBL3875764 0.84 MAPT (0.44) MAPTBACE1MEN1KMT2ANPC1
SCHEMBL1231816 0.84 MAPT (0.42) MAPTBACE1MEN1KMT2ANPC1

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
WO-2006028451-A1 1-AMINO 1-H-IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-03-16 WO disclosed