SCHEMBL7465986

SCHEMBL7465986

COc1cc(NC(=O)c2ccc3[nH]c(-c4cc([N+](=O)[O-])cn4C)nc3c2)cc(OC)c1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
MAPT P10636 2/20 0.50
MEN1 O00255 2/20 0.50
POLB P06746 1/20 0.50
ABCB1 P08183 1/20 0.42
MMP2 P08253 3/20 0.42
MMP9 P14780 3/20 0.42
MMP8 P22894 3/20 0.42
MMP13 P45452 3/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HPSE Q9Y251 2/20 0.42
RECQL P46063 1/20 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
SETD7 Q8WTS6 1/20 0.41

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
SCHEMBL7470394 0.84 MAPT (0.47) KMT2AMAPTMEN1POLBMMP2
SCHEMBL7471952 0.84 KMT2A (0.44) KMT2AMAPTGAAMAPK1HPSE
SCHEMBL5559865 0.83 MEN1 (0.47) KMT2AMAPTMEN1POLBMMP2
SCHEMBL5333969 0.80 CHEK2 (0.47) KMT2AMAPTMEN1POLBMMP2
SCHEMBL7469008 0.79 MAPT (0.50) KMT2AMAPTMEN1POLBMMP2
SCHEMBL7464254 0.79 MAPT (0.47) KMT2AMAPTMEN1POLBMMP2
SCHEMBL7468134 0.78 MAPT (0.49) KMT2AMAPTMEN1POLBMMP2
SCHEMBL7470426 0.77 MAPT (0.49) KMT2AMAPTMEN1POLBMMP2
SCHEMBL7464777 0.76 MAPT (0.49) KMT2AMAPTMEN1POLBMMP2
SCHEMBL7463992 0.76 MAPT (0.49) KMT2AMAPTMEN1POLBMMP2

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