SCHEMBL4746977

SCHEMBL4746977

Cc1ccc([N+](=O)[O-])c(NC2CCN(C(=O)OC(C)(C)C)C2)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
NPSR1 Q6W5P4 1/20 0.47
BRD4 O60885 1/20 0.46
EPHX2 P34913 1/20 0.45
ALDH1A1 P00352 4/20 0.44
MAPT P10636 4/20 0.43
MAPK1 P28482 2/20 0.43
NPC1 O15118 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GPR119 Q8TDV5 3/20 0.43
KMT2A Q03164 1/20 0.43
USP30 Q70CQ3 5/20 0.43
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PIK3CD O00329 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
SCHEMBL606162 0.94 ALDH1A1 (0.51) LMNANPSR1BRD4EPHX2ALDH1A1
SCHEMBL14247649 0.89 USP30 (0.52) LMNABRD4ALDH1A1MAPTMAPK1
SCHEMBL15342506 0.89 USP30 (0.52) LMNABRD4ALDH1A1MAPTMAPK1
SCHEMBL15342513 0.89 USP30 (0.52) LMNABRD4ALDH1A1MAPTMAPK1
SCHEMBL14041860 0.88 LMNA (0.46) LMNANPSR1EPHX2ALDH1A1MAPT
SCHEMBL29847375 0.87 ALDH1A1 (0.46) LMNABRD4ALDH1A1MAPTMAPK1
SCHEMBL29848622 0.87 ALDH1A1 (0.46) LMNABRD4ALDH1A1MAPTMAPK1
SCHEMBL28563880 0.86 BRD4 (0.49) LMNABRD4ALDH1A1MAPTMAPK1
SCHEMBL18928570 0.86 BRD4 (0.49) LMNABRD4ALDH1A1MAPTMAPK1
SCHEMBL16896124 0.86 USP30 (0.49) LMNANPSR1BRD4ALDH1A1MAPT

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
WO-2008119712-A1 BENZOIMIDAZOLE DERIVATIVES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-10-09 WO disclosed
WO-2008119712-A1 BENZOIMIDAZOLE DERIVATIVES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-10-09 WO disclosed