SCHEMBL7464254

SCHEMBL7464254

CC(=O)OCCN(CCOC(C)=O)c1ccc(NC(=O)c2ccc3[nH]c(-c4cc([N+](=O)[O-])cn4C)nc3c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
MMP2 P08253 3/20 0.42
MMP9 P14780 3/20 0.42
MMP8 P22894 3/20 0.42
MMP13 P45452 3/20 0.42
RECQL P46063 2/20 0.41
BLM P54132 1/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
RAB9A P51151 6/20 0.39
NPC1 O15118 5/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38

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
SCHEMBL7469008 0.89 MAPT (0.50) MAPTKMT2AMEN1POLBMMP2
SCHEMBL7468134 0.86 MAPT (0.49) MAPTKMT2AMEN1POLBMMP2
SCHEMBL7470426 0.82 MAPT (0.49) MAPTKMT2AMEN1POLBMMP2
Hydrochloric Acid SCHEMBL7464072 0.81 HRAS (0.42) MAPTKMT2AMEN1POLBSMN1; SMN2
SCHEMBL7463992 0.80 MAPT (0.49) MAPTKMT2AMEN1POLBMMP2
SCHEMBL7464777 0.80 MAPT (0.49) MAPTKMT2AMEN1POLBMMP2
SCHEMBL7463241 0.80 MAPT (0.42) MAPTKMT2AMEN1POLBMMP2
SCHEMBL7470394 0.79 MAPT (0.47) MAPTKMT2AMEN1POLBMMP2
SCHEMBL7463869 0.79 MAPT (0.48) MAPTKMT2AMEN1POLBMMP2
SCHEMBL7469692 0.79 MAPT (0.48) MAPTKMT2AMEN1POLBMMP2

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