SCHEMBL7466474

SCHEMBL7466474

COC(=O)CCc1ccc(N(CCCl)CCCl)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.60
ALDH1A1 P00352 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
HIF1A Q16665 3/20 0.60
MAPT P10636 2/20 0.60
NFKB1 P19838 2/20 0.60
THPO P40225 2/20 0.60
PMP22 Q01453 2/20 0.60
GMNN O75496 1/20 0.60
CYP2D6 P10635 1/20 0.60
GABRA1 P14867 1/20 0.60
TSHR P16473 1/20 0.60
GABRA2 P47869 1/20 0.60
GABRB2 P47870 1/20 0.60
SLCO1B3 Q9NPD5 1/20 0.60
HDAC6 Q9UBN7 2/20 0.59
HDAC2 Q92769 2/20 0.49
HDAC3 O15379 1/20 0.49
NCOR1 O75376 1/20 0.49
HDAC8 Q9BY41 1/20 0.49

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
SCHEMBL15226692 0.91 HIF1A (0.69) LMNAALDH1A1SMN1; SMN2HIF1AMAPT
SCHEMBL7463099 0.86 CYP4A11 (0.50) LMNAALDH1A1SMN1; SMN2HIF1AMAPT
SCHEMBL7465257 0.84 CYP4F2 (0.51) LMNAALDH1A1SMN1; SMN2HIF1AMAPT
SCHEMBL8911467 0.81 CA12 (0.43) LMNAALDH1A1SMN1; SMN2HIF1AMAPT
SCHEMBL7468879 0.81 ALDH1A1 (0.67) LMNAALDH1A1SMN1; SMN2HIF1AMAPT
SCHEMBL2564390 0.81 ALDH1A1 (0.82) LMNAALDH1A1SMN1; SMN2HIF1AMAPT
SCHEMBL22922181 0.80 CYP4F2 (0.59) LMNAALDH1A1MAPTTSHRCA12
SCHEMBL14839591 0.80 ALDH1A1 (0.65) LMNAALDH1A1SMN1; SMN2HIF1AMAPT
SCHEMBL8142192 0.79 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MAPTNFKB1TSHR
SCHEMBL14733281 0.79 CYP4F2 (0.49) LMNAALDH1A1MAPTTSHRCA12

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