SCHEMBL7463241

SCHEMBL7463241

Cc1cc(N(CCCl)CCCl)ccc1NC(=O)c1ccc2[nH]c(-c3cc([N+](=O)[O-])cn3C)nc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
POLB P06746 3/20 0.42
LMNA P02545 3/20 0.39
NPSR1 Q6W5P4 2/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
CYP2C19 P33261 2/20 0.37
GFER P55789 2/20 0.37
CYP1A2 P05177 1/20 0.37
IRAK4 Q9NWZ3 2/20 0.37
MMP2 P08253 2/20 0.36
MMP9 P14780 2/20 0.36
MMP8 P22894 2/20 0.36
MMP13 P45452 2/20 0.36
HTT P42858 4/20 0.36
HSD17B10 Q99714 1/20 0.36
THRB P10828 1/20 0.36
HPGD P15428 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
SCHEMBL7469008 0.90 MAPT (0.50) MAPTMEN1KMT2APOLBLMNA
SCHEMBL7470426 0.87 MAPT (0.49) MAPTMEN1KMT2APOLBLMNA
SCHEMBL7468134 0.87 MAPT (0.49) MAPTMEN1KMT2APOLBLMNA
SCHEMBL7467413 0.86 MAPT (0.37) MAPTMEN1KMT2APOLBNPSR1
SCHEMBL7463992 0.85 MAPT (0.49) MAPTMEN1KMT2APOLBLMNA
SCHEMBL7463869 0.84 MAPT (0.48) MAPTMEN1KMT2APOLBLMNA
SCHEMBL7460611 0.84 CNR1 (0.39) MAPTMEN1KMT2APOLBLMNA
SCHEMBL7466380 0.83 MEN1 (0.41) MAPTMEN1KMT2APOLBNPSR1
SCHEMBL7469692 0.83 MAPT (0.48) MAPTMEN1KMT2APOLBLMNA
SCHEMBL7472733 0.82 ALDH1A1 (0.39) MAPTMEN1KMT2APOLBALDH1A1

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