SCHEMBL8883387

SCHEMBL8883387

CCOc1ccc([N+](=O)[O-])c(NN2CCOCC2)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.50
LMNA P02545 6/20 0.50
ALDH1A1 P00352 4/20 0.50
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
KMT2A Q03164 6/20 0.48
MEN1 O00255 4/20 0.48
TDP1 Q9NUW8 2/20 0.48
HPGD P15428 2/20 0.48
SMN1; SMN2 Q16637 5/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPK1 P28482 3/20 0.46
POLB P06746 2/20 0.46
PKM P14618 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43

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
SCHEMBL8886758 0.87 MAPT (0.51) MAPTLMNAALDH1A1NPC1RAB9A
SCHEMBL8883294 0.82 MAPT (0.59) MAPTLMNAALDH1A1NPC1RAB9A
SCHEMBL8886016 0.80 MAPT (0.51) MAPTLMNAALDH1A1NPC1RAB9A
SCHEMBL6377084 0.79 LMNA (0.58) MAPTLMNAALDH1A1NPC1RAB9A
SCHEMBL8885241 0.79 ALDH1A1 (0.44) MAPTLMNAALDH1A1NPC1RAB9A
SCHEMBL8885497 0.77 SMN1; SMN2 (0.52) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL471095 0.76 MAPT (0.63) MAPTLMNAALDH1A1NPC1RAB9A
SCHEMBL7402604 0.75 MAPT (0.66) MAPTLMNAALDH1A1NPC1RAB9A
SCHEMBL8886892 0.74 CYP1A2 (0.48) MAPTLMNAALDH1A1NPC1RAB9A
SCHEMBL27083133 0.74 MAPT (0.52) MAPTLMNAALDH1A1NPC1RAB9A

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