SCHEMBL28560223

SCHEMBL28560223

Cc1nccc([N+](=O)[O-])c1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
KDM4E B2RXH2 2/20 0.41
POLB P06746 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
ALDH1A1 P00352 6/20 0.40
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
PARP1 P09874 1/20 0.38
HPGD P15428 1/20 0.38
LMNA P02545 2/20 0.38
PAX8 Q06710 1/20 0.37
TSHR P16473 1/20 0.37
NTRK1 P04629 2/20 0.37
PIM1 P11309 2/20 0.37
KCNMA1 Q12791 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36

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
SCHEMBL2475360 0.85 L3MBTL1 (0.56) TDP1L3MBTL1KDM4EPOLBALDH1A1
SCHEMBL5481728 0.78 MAPT (0.48) KDM4EPOLBALDH1A1MAPTSMN1; SMN2
SCHEMBL28331716 0.77 TDP1 (0.38) TDP1L3MBTL1KDM4EPOLBCTDSP1
SCHEMBL28150861 0.75 TSHR (0.43) TDP1L3MBTL1KDM4EPOLBALDH1A1
SCHEMBL1121873 0.75 GPR35 (0.50) TDP1L3MBTL1KDM4EPOLBALDH1A1
SCHEMBL2773204 0.74 TDP1 (0.54) TDP1L3MBTL1KDM4EPOLBALDH1A1
SCHEMBL161321 0.74 SIRT3 (0.46) TDP1POLBNTRK1PIM1MKNK1
SCHEMBL31606794 0.74 SIRT3 (0.46) TDP1POLBNTRK1PIM1MKNK1
SCHEMBL11620693 0.73 POLB (0.41) TDP1L3MBTL1KDM4EPOLBCTDSP1
SCHEMBL11723471 0.73 TDP1 (0.41) TDP1L3MBTL1KDM4EPOLBCTDSP1

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
CN-112710767-A Tandem mass spectrometry kit for measuring NNMT catalytic substrate and NNMT catalytic product 浙江大学 2021-04-27 CN claimed