SCHEMBL4020385

SCHEMBL4020385

CC(=O)Nc1ccc([N+](=O)[O-])c2cnccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.55
MEN1 O00255 3/20 0.55
MAPT P10636 8/20 0.49
HTT P42858 5/20 0.49
NPSR1 Q6W5P4 1/20 0.48
LMNA P02545 2/20 0.46
POLB P06746 1/20 0.46
TDP1 Q9NUW8 2/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MCL1 Q07820 1/20 0.42
PTK2B Q14289 1/20 0.42
ALDH3A1 P30838 1/20 0.42
HIPK2 Q9H2X6 1/20 0.42

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
SCHEMBL9426306 0.82 ALDH1A1 (0.55) KMT2AMEN1MAPTHTTNPSR1
SCHEMBL645403 0.80 RXFP1 (0.58) KMT2AMEN1MAPTHTTNPSR1
SCHEMBL11817125 0.79 MAPT (0.64) KMT2AMEN1MAPTHTTLMNA
SCHEMBL5657826 0.79 RXFP1 (0.45) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL3575125 0.79 MEN1 (0.46) KMT2AMEN1MAPTHTTNPSR1
SCHEMBL4024851 0.78 MAPT (0.43) KMT2AMEN1MAPTHTTNPSR1
SCHEMBL5657172 0.78 RXFP1 (0.64) KMT2AMEN1MAPTALDH1A1CYP1A2
SCHEMBL4021056 0.78 EP300 (0.51) KMT2AMEN1MAPTHTTLMNA
SCHEMBL17336601 0.77 MAPT (0.48) KMT2AMEN1MAPTHTTNPSR1
SCHEMBL17336590 0.76 MAPT (0.46) MAPT

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-1478363-B1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LAB (US) 2009-01-14 EP claimed
EP-1478363-B1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LAB (US) 2009-01-14 EP disclosed