SCHEMBL7516830

SCHEMBL7516830

CC(C)(O)CNC=O.Cc1nn(C)cc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.39
PIK3CA P42336 3/20 0.39
PIK3CG P48736 3/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CB P42338 1/20 0.39
MTOR P42345 1/20 0.39
PIK3C3 Q8NEB9 1/20 0.39
MITF O75030 1/20 0.36
NPC1 O15118 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 2/20 0.34
RAB9A P51151 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL7521329 0.81 PIK3CG (0.39) L3MBTL1MAPTPIK3CAPIK3CGPIK3CD
SCHEMBL2760410 0.78 MAPT (0.47) L3MBTL1MAPTPOLBMITFSMN1; SMN2
SCHEMBL20555214 0.72 ALDH1A1 (0.38) L3MBTL1MAPTPOLBMITFLMNA
SCHEMBL7514334 0.70 L3MBTL1 (0.69) L3MBTL1MAPTPOLBMITFNPC1
SCHEMBL1095937 0.69
SCHEMBL28805566 0.69 MAPT (0.36) L3MBTL1MAPTPOLBSMN1; SMN2
SCHEMBL20555201 0.68 ALDH1A1 (0.33) MAPTPOLBLMNAKMT2A
SCHEMBL20555297 0.66 LRRK2 (0.36) L3MBTL1MAPTPOLBLMNA
SCHEMBL15528397 0.66 ALDH1A1 (0.35) L3MBTL1MAPTPOLBLMNAKMT2A
SCHEMBL1559636 0.65 ALDH1A1 (0.43) L3MBTL1MAPTPOLBLMNAMEN1

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
EP-2580207-A1 NITROGEN CONTAINING HETEROARYL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2013-04-17 EP disclosed
WO-2011154327-A1 NITROGEN CONTAINING HETEROARYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2011-12-15 WO disclosed