SCHEMBL7475387

SCHEMBL7475387

Cc1cc(N(CCCl)CCCl)ccc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.61
TSHR P16473 5/20 0.44
HPGD P15428 2/20 0.43
ALDH1A1 P00352 4/20 0.42
TDP1 Q9NUW8 2/20 0.42
HSD17B10 Q99714 1/20 0.41
CYP3A4 P08684 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
EGFR P00533 1/20 0.37
ERBB2 P04626 1/20 0.37
RECQL P46063 1/20 0.37
MAPK1 P28482 1/20 0.36
CNR2 P34972 1/20 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
SCHEMBL3054634 0.86 MAPT (0.63) MAPTTSHRHPGDALDH1A1TDP1
SCHEMBL7470399 0.84 MAPT (0.61) MAPTTSHRHPGDALDH1A1TDP1
SCHEMBL3060140 0.83 MAPT (0.59) MAPTTSHRHPGDALDH1A1TDP1
SCHEMBL3835000 0.82 MAPT (0.67) MAPTTSHRHPGDALDH1A1HSD17B10
SCHEMBL28907047 0.81 ALDH1A1 (0.48) MAPTTSHRALDH1A1TDP1HSD17B10
SCHEMBL7792084 0.80 MAPT (0.55) MAPTTSHRHPGDALDH1A1TDP1
SCHEMBL29740665 0.79 MAPT (0.72) MAPTTSHRHPGDALDH1A1HSD17B10
SCHEMBL5652170 0.78 MAPT (0.61) MAPTTSHRHPGDALDH1A1TDP1
SCHEMBL3059939 0.78 MAPT (0.56) MAPTTSHRALDH1A1TDP1CYP3A4
SCHEMBL3051207 0.77 MAPT (0.52) MAPTTSHRHPGDALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0711768-B1 BENZIMIDAZOLE DERIVATIVE MITSUI CHEMICALS INC (JP) 2002-02-13 EP disclosed
US-5852011-A Benzimidazole derivatives MITSUI CHEMICALS, INC. (JP) 1998-12-22 US disclosed
EP-0711768-A1 BENZIMIDAZOLE DERIVATIVE MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-05-15 EP disclosed