SCHEMBL7467413

SCHEMBL7467413

CN(C)CCN(C=O)c1cc(N(CCCl)CCCl)ccc1NC(=O)c1ccc2[nH]c(-c3cc([N+](=O)[O-])cn3C)nc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
POLB P06746 1/20 0.37
RECQL P46063 2/20 0.34
BLM P54132 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
THRB P10828 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
DUSP3 P51452 1/20 0.34
PTPN5 P54829 1/20 0.34
PTPN11 Q06124 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HRAS P01112 4/20 0.33
ESR1 P03372 4/20 0.33
ESR2 Q92731 4/20 0.33
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.32

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
SCHEMBL7463241 0.86 MAPT (0.42) MAPTMEN1KMT2APOLBRECQL
SCHEMBL7469008 0.84 MAPT (0.50) MAPTMEN1KMT2APOLBRECQL
Hydrochloric Acid SCHEMBL7462182 0.83 HRAS (0.41) HRASESR1ESR2EGFRRAD52
SCHEMBL7468134 0.83 MAPT (0.49) MAPTMEN1KMT2APOLBRECQL
SCHEMBL7470341 0.82 MAPT (0.36) MAPTMEN1KMT2APOLBRECQL
SCHEMBL7470426 0.81 MAPT (0.49) MAPTMEN1KMT2APOLBRECQL
SCHEMBL7463869 0.80 MAPT (0.48) MAPTMEN1KMT2APOLBRECQL
SCHEMBL7469692 0.79 MAPT (0.48) MAPTMEN1KMT2APOLBRECQL
SCHEMBL7463992 0.78 MAPT (0.49) MAPTMEN1KMT2APOLBRECQL
SCHEMBL7460611 0.78 CNR1 (0.39) MAPTMEN1KMT2APOLBTHRB

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