SCHEMBL7470588

SCHEMBL7470588

COC(=O)c1cc(N(CCCl)CCCl)cc(N(CCCl)CCCl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
EGFR P00533 4/20 0.43
ERBB2 P04626 4/20 0.43
KDM4E B2RXH2 3/20 0.43
LMNA P02545 3/20 0.43
XDH P47989 2/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
NFKB1 P19838 1/20 0.43
GFER P55789 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
FUT7 Q11130 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL7464289 0.84 ALDH1A1 (0.56) CA12CA1CA2CA7CA9
SCHEMBL7384565 0.84 LOXL2 (0.49) EGFRERBB2KDM4ELMNAPOLB
SCHEMBL7462475 0.78 EGFR (0.44) EGFRERBB2KDM4ELMNANFKB1
SCHEMBL7467541 0.78 EGFR (0.45) CA12CA1CA2CA7CA9
SCHEMBL3509155 0.77 KDM4E (0.49) CA12CA1CA2CA7CA9
SCHEMBL11363964 0.74 CA1 (0.54) CA12CA1CA2CA7CA9
SCHEMBL7470900 0.72 ALDH1A1 (0.51) CA12CA1CA2CA7CA9
SCHEMBL7614930 0.72 ALDH1A1 (0.55) CA12CA1CA2CA7CA9
SCHEMBL21839787 0.71 NOTUM (0.51) CA12CA1CA2CA7CA9
SCHEMBL475534 0.70 CA12 (0.54) CA12CA1CA2CA7CA9

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 3 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
US-5852011-A Benzimidazole derivatives MITSUI CHEMICALS, INC. (JP) 1998-12-22 US disclosed
EP-0711768-A1 BENZIMIDAZOLE DERIVATIVE MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-05-15 EP disclosed