SCHEMBL7470522

SCHEMBL7470522

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 2/20 0.57
ALDH1A1 P00352 4/20 0.48
TSHR P16473 2/20 0.46
TP53 P04637 1/20 0.46
ALDH2 P05091 1/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
POLB P06746 2/20 0.44
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
NR4A1 P22736 1/20 0.44
APEX1 P27695 1/20 0.44
APOBEC3A P31941 1/20 0.44
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HIF1A Q16665 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44

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
SCHEMBL7468148 0.85 HDAC8 (0.42) MEP1BALDH1A1TSHRMEN1KMT2A
SCHEMBL5636987 0.85 MEP1B (0.57) MEP1BALDH1A1TSHRTP53ALDH2
SCHEMBL1636569 0.83 HRH3 (0.60) MEP1BALDH1A1ALDH2MEN1KMT2A
SCHEMBL4743378 0.80 MEP1B (0.61) MEP1BALDH1A1TSHRMEN1KMT2A
SCHEMBL11809995 0.80 MEP1B (0.61) MEP1BALDH1A1TSHRMEN1KMT2A
Hydrochloric Acid SCHEMBL29407386 0.79 MEP1B (0.56) MEP1BALDH1A1TSHRTP53ALDH2
SCHEMBL7471752 0.79 SMN1; SMN2 (0.56) ALDH1A1TSHRMEN1KMT2AKDM4E
SCHEMBL4744604 0.79 MEP1B (0.51) MEP1BALDH1A1ALDH2MEN1KMT2A
Hydrochloric Acid SCHEMBL16699939 0.78 MEP1B (0.59) MEP1BALDH1A1TSHRMEN1KMT2A
SCHEMBL4289838 0.78 HDAC8 (0.66) MEP1BALDH1A1TSHRTP53ALDH2

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 5 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
US-4810422-A CARCINOSTATS OF LOW TOXICITY WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1989-03-07 US disclosed
EP-0259185-A1 Bile acid derivatives, their salts and production thereof WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1988-03-09 EP disclosed