SCHEMBL7468148

SCHEMBL7468148

O=C(Cl)c1ccc(CN(CCCl)CCCl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ ALDH1A1 P00352 6/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ MAPT P10636 2/20 0.41
▸ MEP1B Q16820 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ CDC25A P30304 1/20 0.39
▸ CDC25B P30305 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HRH3 Q9Y5N1 3/20 0.38
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ HTT P42858 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ HIF1A Q16665 2/20 0.36
▸ EGFR P00533 1/20 0.36
▸ ERBB2 P04626 1/20 0.36
▸ GMNN O75496 1/20 0.36

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
SCHEMBL7470522 0.85 MEP1B (0.57) HDAC8HDAC6ALDH1A1SMN1; SMN2MAPT
SCHEMBL5393101 0.81 HDAC8 (0.64) HDAC8HDAC6ALDH1A1SMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL9837835 0.79 HDAC8 (0.62) HDAC8HDAC6ALDH1A1POLBHRH3
SCHEMBL7471752 0.79 SMN1; SMN2 (0.56) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL2771691 0.76 HRH3 (0.52) HDAC8HDAC6ALDH1A1SMN1; SMN2MAPT
SCHEMBL3962189 0.75 CA1 (0.43) HDAC8ALDH1A1SMN1; SMN2MAPTPOLB
SCHEMBL186794 0.74 CA1 (0.64) ALDH1A1SMN1; SMN2MAPTPOLBMEN1
Hydrochloric Acid SCHEMBL9834919 0.74 HRH3 (0.50) HDAC6ALDH1A1SMN1; SMN2MAPTPOLB
SCHEMBL7462603 0.74 EGFR (0.60) HDAC8HDAC6ALDH1A1SMN1; SMN2MAPT
Methylene Chloride SCHEMBL29223376 0.73 ALDH1A1 (0.52) ALDH1A1MAPTCA1CA2HTT

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
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