SCHEMBL8884629

SCHEMBL8884629

O=[N+]([O-])c1ccc(Cl)cc1Nc1ccccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.56
ALDH1A1 P00352 3/20 0.56
LMNA P02545 2/20 0.56
HTT P42858 1/20 0.56
TSHR P16473 1/20 0.54
L3MBTL1 Q9Y468 5/20 0.54
MAPT P10636 6/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
EPAS1 Q99814 1/20 0.49
HPGD P15428 1/20 0.48
PHGDH O43175 1/20 0.48
PKM P14618 1/20 0.47
CASP7 P55210 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PDE7A Q13946 1/20 0.46
IDO1 P14902 1/20 0.46
APP P05067 1/20 0.45

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
SCHEMBL11492017 0.87 TSHR (0.62) MAPK1ALDH1A1LMNATSHRL3MBTL1
SCHEMBL2676946 0.85 MAPK1 (0.64) MAPK1ALDH1A1LMNAHTTL3MBTL1
SCHEMBL11479021 0.85 MAPT (0.59) MAPK1ALDH1A1TSHRL3MBTL1MAPT
SCHEMBL2329868 0.85 L3MBTL1 (0.51) MAPK1ALDH1A1LMNATSHRL3MBTL1
SCHEMBL5384243 0.84 L3MBTL1 (0.61) MAPK1ALDH1A1LMNAHTTTSHR
SCHEMBL3253899 0.83 L3MBTL1 (0.77) MAPK1ALDH1A1TSHRL3MBTL1MAPT
SCHEMBL31495088 0.81 VCAM1 (0.56) MAPK1ALDH1A1LMNAHTTTSHR
SCHEMBL16489005 0.81 AKR1C3 (0.67) ALDH1A1L3MBTL1MAPTPHGDHAPP
SCHEMBL1624563 0.79 CXCL8 (0.46) MAPK1ALDH1A1TSHRL3MBTL1MAPT
SCHEMBL4588213 0.79 L3MBTL1 (0.55) MAPK1ALDH1A1LMNAL3MBTL1MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5661169-A HAVE AFFINITY FOR VASOPRESSIN AND/OR OXYTOCIN RECEPTORS SANOFI (FR) 1997-08-26 US disclosed
US-5585394-A INHIBITOR, ANTAGONIST OF VASOPRESSIN OR OXYTOCIN SANOFI (FR) 1996-12-17 US disclosed
EP-0694536-A1 1-Benzyl-1,3-dihydro-2H-benzimidazol-2-one derivatives, their preparation and pharmaceutical compositions containing them SANOFI (FR) 1996-01-31 EP disclosed
EP-0636614-A1 Derivatives of 1-benzenesulfonyl-1,3-dihydro-2H-benzimidazol-2-one, their preparation and pharmaceutical compositions containing them SANOFI (FR) 1995-02-01 EP disclosed