SCHEMBL7525232

SCHEMBL7525232

CCNC(=O)c1c[c]cc([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.44
POLB P06746 1/20 0.43
ALDH1A1 P00352 5/20 0.43
LMNA P02545 4/20 0.43
HPGD P15428 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MAPT P10636 4/20 0.42
GAA P10253 2/20 0.42
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PKM P14618 1/20 0.40
ALOX5 P09917 1/20 0.40
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL8593274 0.83 SMN1; SMN2 (0.42) ALDH1A1LMNAHPGDL3MBTL1MAPT
SCHEMBL7525861 0.82 CYP3A4 (0.42) ALDH1A1HPGDL3MBTL1MAPTSMN1; SMN2
SCHEMBL8884550 0.78 ATM (0.67) ATMPOLBALDH1A1LMNAHPGD
SCHEMBL16062759 0.77 GAA (0.56) POLBALDH1A1LMNAHPGDL3MBTL1
SCHEMBL31226521 0.77 GAA (0.50) ATMPOLBALDH1A1LMNAHPGD
SCHEMBL3955088 0.77 MAPT (0.62) POLBALDH1A1LMNAL3MBTL1MAPT
SCHEMBL710856 0.76 POLB (0.50) POLBMAPTGAAHTTSMN1; SMN2
SCHEMBL6241333 0.76 ALOX15 (0.39) ALDH1A1LMNAL3MBTL1MAPTSMN1; SMN2
SCHEMBL7520934 0.75 NPC1 (0.62) POLBALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL29955877 0.75 MAPT (0.45) ATMALDH1A1LMNAL3MBTL1MAPT

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-2002005616-A1 NOVEL 6-PHENYLPHENANTHRIDINES ALTANA PHARMA AG (DE) 2002-01-24 WO disclosed