SCHEMBL7464891

SCHEMBL7464891

N#CCCNC(=O)c1ccc2[nH]c(-c3csc([N+](=O)[O-])c3)nc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
THRB P10828 2/20 0.39
RECQL P46063 2/20 0.37
BLM P54132 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
MMP2 P08253 3/20 0.36
MMP9 P14780 3/20 0.36
MMP8 P22894 3/20 0.36
FLT3 P36888 2/20 0.36
NPBWR1 P48145 1/20 0.36
PRSS12 P56730 1/20 0.36
MMP13 P45452 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL8987545 0.85 MMP2 (0.49) MAPTL3MBTL1MMP2MMP9MMP8
SCHEMBL7470449 0.84 MAPT (0.39) MAPTPKMMAPK1L3MBTL1THRB
Hydrochloric Acid SCHEMBL7473954 0.84 MAPT (0.39) MAPTPKMMAPK1L3MBTL1THRB
SCHEMBL8987680 0.83 MAPT (0.51) MAPTL3MBTL1THRBMMP2MMP9
SCHEMBL7464927 0.80 CHEK2 (0.49) MAPTMMP2MMP9MMP8NPBWR1
SCHEMBL7463872 0.78 MAPT (0.39) MAPTPKMMAPK1L3MBTL1THRB
SCHEMBL7473157 0.77 MAPT (0.43) MAPTPKMMAPK1L3MBTL1THRB
SCHEMBL7467214 0.77 MAPT (0.38) MAPTPKMMAPK1L3MBTL1THRB
SCHEMBL7468975 0.75 MAPT (0.44) MAPTTHRBRECQLBLMTDP1
SCHEMBL8601919 0.72 CHEK2 (0.60) MAPTTDP1MMP2MMP9MMP8

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