SCHEMBL7465193

SCHEMBL7465193

CCN(CCCl)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
ALDH1A1 P00352 6/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
TLR9 Q9NR96 2/20 0.47
ATM Q13315 2/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
RAB9A P51151 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.43
HTT P42858 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
PHLPP2 Q6ZVD8 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
EGFR P00533 2/20 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
SCHEMBL29740662 0.90 MAPT (0.57) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL4912258 0.90 MAPT (0.49) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL13292848 0.86 MAPT (0.58) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL160430 0.86 ALDH1A1 (0.57) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL12004712 0.83 MAPT (0.55) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL3130705 0.83 MAPT (0.51) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL7467722 0.81 ALDH1A1 (0.51) MAPTALDH1A1MEN1KMT2AATM
SCHEMBL10490273 0.81 ALDH1A1 (0.53) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL9651254 0.81 MAPT (0.50) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL5172965 0.81 MMP14 (0.51) MAPTALDH1A1MEN1KMT2AL3MBTL1

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-0711768-B1 BENZIMIDAZOLE DERIVATIVE MITSUI CHEMICALS INC (JP) 2002-02-13 EP disclosed
EP-0711768-A1 BENZIMIDAZOLE DERIVATIVE MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-05-15 EP disclosed