SCHEMBL7468975

SCHEMBL7468975

O=C(Nc1ccc(N(CCCl)CCCl)cc1)c1ccc2[nH]c(-c3csc([N+](=O)[O-])c3)nc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
RECQL P46063 2/20 0.44
BLM P54132 1/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MMP2 P08253 5/20 0.43
MMP9 P14780 5/20 0.43
MMP8 P22894 5/20 0.43
MMP13 P45452 5/20 0.43
HPSE Q9Y251 2/20 0.41
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 2/20 0.39
POLB P06746 2/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL8987618 0.86 MMP2 (0.59) MAPTRECQLBLMCACNA1BAPBA1
SCHEMBL8987520 0.84 MMP13 (0.54) MAPTRECQLBLMCACNA1BAPBA1
SCHEMBL7469008 0.79 MAPT (0.50) MAPTRECQLBLMCACNA1BAPBA1
SCHEMBL7467562 0.79 MAPT (0.44) MAPTRECQLBLMCACNA1BAPBA1
Hydrochloric Acid SCHEMBL7474392 0.78 HRAS (0.41) MAPTMMP2MMP9MMP8MMP13
SCHEMBL7464927 0.77 CHEK2 (0.49) MAPTMMP2MMP9MMP8MMP13
SCHEMBL8772113 0.76 HPSE (0.58) MAPTMMP2MMP9MMP8MMP13
SCHEMBL7468134 0.76 MAPT (0.49) MAPTRECQLBLMCACNA1BAPBA1
SCHEMBL8987569 0.76 MAPT (0.53) MAPTRECQLTDP1MMP2MMP9
SCHEMBL7464891 0.75 MAPT (0.40) MAPTRECQLBLMCACNA1BAPBA1

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