SCHEMBL9687003

SCHEMBL9687003

CC(=O)Nc1ncccc1[N+](=O)[O-]

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.54
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
ALDH1A1 P00352 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
NPC1 O15118 5/20 0.51
MAPT P10636 4/20 0.51
RAB9A P51151 4/20 0.51
NFKB1 P19838 1/20 0.51
MAPK1 P28482 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
POLB P06746 3/20 0.50
TDP1 Q9NUW8 1/20 0.48
PKM P14618 2/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PDE10A Q9Y233 1/20 0.46

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
SCHEMBL28729479 0.83 MEN1 (0.51) LMNAMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL29431832 0.83 MEN1 (0.51) LMNAMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL6797523 0.82 MEN1 (0.63) MEN1KMT2AALDH1A1L3MBTL1NPC1
SCHEMBL5797626 0.80 RAB9A (0.56) LMNAMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL9281428 0.80 MAPT (0.48) LMNAMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL7908594 0.80 LMNA (0.48) LMNAMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL552157 0.80 LMNA (0.51) LMNAMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL2222503 0.80 MEN1 (0.56) LMNAMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL6792229 0.79 MEN1 (0.59) MEN1KMT2AALDH1A1L3MBTL1NPC1
SCHEMBL11016312 0.79 MEN1 (0.63) LMNAMEN1KMT2AALDH1A1L3MBTL1

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-0307014-B1 ANTI-ALLERGIC 2-(HETEROCYCLYL ALKYL) IMIDAZO PYRIDINES AND 2-(HETEROCYCLYL ALKYL) PURINES JANSSEN PHARMACEUTICA N.V. (BE) 1992-12-09 EP disclosed
EP-0307014-A1 Anti-allergic 2-(heterocyclyl alkyl) imidazo pyridines and 2-(heterocyclyl alkyl) purines JANSSEN PHARMACEUTICA N.V. (BE) 1989-03-15 EP disclosed