SCHEMBL2300428

SCHEMBL2300428

O=C(Nc1ccc([N+](=O)[O-])cc1)C1Nc2ccccc2C12CCNC2

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.47
KMT2A Q03164 7/20 0.47
MEN1 O00255 6/20 0.47
NPSR1 Q6W5P4 3/20 0.47
MAPK1 P28482 1/20 0.47
NAMPT P43490 1/20 0.44
ALDH1A1 P00352 4/20 0.44
HSPA9 P38646 2/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MITF O75030 1/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.38
GAA P10253 1/20 0.38
HTR1E P28566 1/20 0.38
S1PR3 Q99500 1/20 0.38

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
SCHEMBL6219295 0.78 L3MBTL1 (0.40) KMT2AMEN1MAPK1NPC1RAB9A
SCHEMBL14311949 0.76 BACE1 (0.43) MAPTALDH1A1GAA
SCHEMBL2719847 0.66 NAMPT (0.80) MAPTKMT2AMEN1NPSR1MAPK1
SCHEMBL2302824 0.66 KMT2A (0.40) MAPTKMT2AMEN1MAPK1ALDH1A1
SCHEMBL2355515 0.66 LMNA (0.42) MAPTKMT2AMEN1MAPK1ALDH1A1
SCHEMBL14505991 0.64 NAMPT (0.71) MAPTKMT2AMEN1NPSR1MAPK1
SCHEMBL14637459 0.64 MAPT (0.53) MAPTKMT2AMEN1NPSR1MAPK1
SCHEMBL18040074 0.64 NAMPT (1.00) MAPTKMT2AMEN1NPSR1MAPK1
SCHEMBL8520214 0.62 NAMPT (0.62) MAPTKMT2AMEN1NPSR1MAPK1
SCHEMBL5912219 0.62 NAMPT (0.58) MAPTKMT2AMEN1NPSR1MAPK1

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-2011101297-A1 SUBSTITUTED SPIROINDOLINONES F. HOFFMANN-LA ROCHE AG (CH) 2011-08-25 WO claimed