SCHEMBL7471752

SCHEMBL7471752

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ LOXL2 Q9Y4K0 1/20 0.54
▸ CYP4A11 Q02928 2/20 0.50
▸ CYP4F2 P78329 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ MAPT P10636 3/20 0.47
▸ CA1 P00915 2/20 0.47
▸ CA2 P00918 2/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ CA12 O43570 1/20 0.47
▸ CA7 P43166 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ CA14 Q9ULX7 1/20 0.47

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
SCHEMBL7468445 0.87 CYP4A11 (0.58) SMN1; SMN2LOXL2CYP4A11CYP4F2ALDH1A1
SCHEMBL1206463 0.87 HRH3 (0.55) SMN1; SMN2LOXL2CYP4A11CYP4F2ALDH1A1
SCHEMBL4741255 0.85 LOXL2 (0.53) SMN1; SMN2LOXL2CYP4A11CYP4F2ALDH1A1
SCHEMBL5068516 0.83 HDAC8 (0.65) SMN1; SMN2LOXL2CYP4A11CYP4F2ALDH1A1
SCHEMBL10995347 0.81 LPAR1 (0.50) LOXL2CYP4A11CYP4F2ALDH1A1KDM4E
SCHEMBL10397250 0.81 MAPT (0.61) LOXL2CYP4A11ALDH1A1KDM4ENPC1
SCHEMBL15392053 0.81 MAPT (0.61) LOXL2CYP4A11ALDH1A1KDM4ENPC1
SCHEMBL27220639 0.81 LOXL2 (0.56) SMN1; SMN2LOXL2CYP4A11CYP4F2ALDH1A1
SCHEMBL20879369 0.81 ALDH1A1 (0.54) SMN1; SMN2LOXL2CYP4A11CYP4F2ALDH1A1
SCHEMBL27220637 0.80 LOXL2 (0.55) SMN1; SMN2LOXL2CYP4A11CYP4F2ALDH1A1

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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