SCHEMBL7469008

SCHEMBL7469008

Cn1cc([N+](=O)[O-])cc1-c1nc2cc(C(=O)Nc3ccc(N(CCCl)CCCl)cc3)ccc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.50
MEN1 O00255 1/20 0.50
POLB P06746 1/20 0.50
KMT2A Q03164 1/20 0.50
MMP2 P08253 3/20 0.44
MMP9 P14780 3/20 0.44
MMP8 P22894 3/20 0.44
MMP13 P45452 3/20 0.44
HRAS P01112 5/20 0.43
ESR1 P03372 5/20 0.43
ESR2 Q92731 5/20 0.43
RECQL P46063 2/20 0.42
BLM P54132 1/20 0.42
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
RAB9A P51151 4/20 0.41
MAPK1 P28482 2/20 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
SCHEMBL7468134 0.97 MAPT (0.49) MAPTMEN1POLBKMT2AMMP2
SCHEMBL7470426 0.92 MAPT (0.49) MAPTMEN1POLBKMT2AMMP2
SCHEMBL7463992 0.90 MAPT (0.49) MAPTMEN1POLBKMT2AMMP2
SCHEMBL7464777 0.90 MAPT (0.49) MAPTMEN1POLBKMT2AMMP2
SCHEMBL7463241 0.90 MAPT (0.42) MAPTMEN1POLBKMT2AMMP2
SCHEMBL7469692 0.89 MAPT (0.48) MAPTMEN1POLBKMT2AMMP2
SCHEMBL7463869 0.89 MAPT (0.48) MAPTMEN1POLBKMT2AMMP2
SCHEMBL7464254 0.89 MAPT (0.47) MAPTMEN1POLBKMT2AMMP2
SCHEMBL7460611 0.88 CNR1 (0.39) MAPTMEN1POLBKMT2AHRAS
SCHEMBL7472023 0.88 HRAS (0.51) MAPTMEN1POLBKMT2AMMP2

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 4 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-0776891-B1 Pyrrolylbenzimidazole derivatives MITSUI CHEMICALS INC (JP) 1999-02-10 EP disclosed
EP-0776891-A1 Pyrrolylbenzimidazole derivatives MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1997-06-04 EP disclosed
EP-0711768-A1 BENZIMIDAZOLE DERIVATIVE MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-05-15 EP disclosed