SCHEMBL7472000

SCHEMBL7472000

Cn1cc([N+](=O)[O-])cc1-c1nc2cc(C(=O)Nc3ccc(N(CCCl)CCCl)c(C(F)(F)F)c3)ccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
MMP2 P08253 3/20 0.38
MMP9 P14780 3/20 0.38
MMP8 P22894 3/20 0.38
MMP13 P45452 3/20 0.38
RAB9A P51151 2/20 0.38
MAPK1 P28482 1/20 0.36
BRAF P15056 6/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 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
SCHEMBL7469692 0.91 MAPT (0.48) MAPTMEN1POLBKMT2AMMP2
SCHEMBL7463992 0.90 MAPT (0.49) MAPTMEN1POLBKMT2AMMP2
SCHEMBL7464777 0.90 MAPT (0.49) MAPTMEN1POLBKMT2AMMP2
SCHEMBL7470394 0.88 MAPT (0.47) MAPTMEN1POLBKMT2AMMP2
SCHEMBL7469008 0.87 MAPT (0.50) MAPTMEN1POLBKMT2AMMP2
SCHEMBL7467253 0.87 MAPT (0.46) MAPTMEN1POLBKMT2AMMP2
SCHEMBL7470426 0.86 MAPT (0.49) MAPTMEN1POLBKMT2AMMP2
SCHEMBL7468134 0.86 MAPT (0.49) MAPTMEN1POLBKMT2AMMP2
SCHEMBL7463869 0.85 MAPT (0.48) MAPTMEN1POLBKMT2AMMP2
SCHEMBL7459798 0.84 HRAS (0.38) MAPTMEN1POLBKMT2AMAPK1

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