SCHEMBL7477278

SCHEMBL7477278

Cn1cc([N+](=O)[O-])cc1-c1nc2cc(C(=O)NCCNC(=O)OC(C)(C)C)ccc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
BCHE P06276 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
BRD4 O60885 2/20 0.38
THRB P10828 1/20 0.38
EGFR P00533 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 1/20 0.36
NAMPT P43490 2/20 0.35
SUV39H2 Q9H5I1 1/20 0.35
MLLT1 Q03111 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
SCHEMBL7471355 0.84 MAPT (0.43) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL7473157 0.84 MAPT (0.43) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL7470258 0.83 HPGD (0.46) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL7465939 0.83 MAPT (0.43) MAPTMEN1KMT2APOLBL3MBTL1
Hydrochloric Acid SCHEMBL7462715 0.82 MAPT (0.42) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL7467520 0.82 MAPT (0.47) MAPTMEN1KMT2APOLBBCHE
SCHEMBL5559865 0.80 MEN1 (0.47) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL5333969 0.79 CHEK2 (0.47) MAPTMEN1KMT2APOLBNPC1
SCHEMBL7462181 0.78 ALDH1A1 (0.51) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL7460611 0.77 CNR1 (0.39) MAPTMEN1KMT2APOLBL3MBTL1

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