SCHEMBL8867147

SCHEMBL8867147

CCOC(=O)c1cc([N+](=O)[O-])cn1CCCC=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 5/20 0.41
NOD2 Q9HC29 1/20 0.40
NOD1 Q9Y239 1/20 0.40
POLB P06746 1/20 0.39
KCNJ1 P48048 1/20 0.38
KCNH2 Q12809 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CACNA1F O60840 5/20 0.38
CACNA1D Q01668 5/20 0.38
CACNA1S Q13698 5/20 0.38
CACNA1C Q13936 5/20 0.38
TNF P01375 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL8866941 0.93 NPC1 (0.43) ARNPC1MAPTNOD2NOD1
SCHEMBL7258024 0.86 NPC1 (0.44) ARNPC1MAPTNOD2NOD1
SCHEMBL14099809 0.86 NPC1 (0.44) ARNPC1MAPTNOD2NOD1
SCHEMBL5889676 0.85 NPC1 (0.47) ARNPC1MAPTNOD2NOD1
SCHEMBL26106290 0.81 NPC1 (0.44) ARNPC1MAPTNOD2NOD1
SCHEMBL20644785 0.81 AR (0.46) ARNPC1MAPTNOD2NOD1
SCHEMBL1844676 0.81 NPC1 (0.43) ARNPC1MAPTNOD2NOD1
SCHEMBL26374423 0.79 DUT (0.41) ARNPC1MAPTNOD2NOD1
SCHEMBL22825015 0.78 BRD4 (0.43) ARNPC1MAPTNOD2NOD1
SCHEMBL29011151 0.78 MCL1 (0.49) MAPTL3MBTL1

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
US-5698674-A ANTIBIOTICS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1997-12-16 US disclosed