SCHEMBL8600336

SCHEMBL8600336

CC(=O)OCCn1c(C(F)(F)F)nc2c(C(=O)Nc3c(Cl)cccc3Cl)cccc21

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.43
PDE4A P27815 2/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43
PTGES O14684 6/20 0.39
THRB P10828 1/20 0.39
PIK3C2B O00750 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
DHODH Q02127 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
SCHEMBL8598543 0.86 PDE4B (0.43) PDE4BPDE4APDE4CPDE4DPTGES
SCHEMBL8598600 0.86 THRB (0.42) PDE4BPDE4APDE4CPDE4DPTGES
SCHEMBL8598985 0.85 PDE4B (0.42) PDE4BPDE4APDE4CPDE4DPTGES
SCHEMBL8602001 0.85 PDE4A (0.40) PDE4BPDE4APDE4CPDE4DPTGES
SCHEMBL8600059 0.84 PTGES (0.40) PDE4BPDE4APDE4CPDE4DPTGES
SCHEMBL8595606 0.84 PDE4B (0.46) PDE4BPDE4APDE4CPDE4DPTGES
SCHEMBL8598511 0.83 PTGES (0.41) PTGESLMNAHPGDMAPK1SMN1; SMN2
SCHEMBL8601221 0.83 HPGD (0.46) PDE4BPDE4APDE4CPDE4DPTGES
SCHEMBL8602720 0.80 PDE4B (0.44) PDE4BPDE4APDE4CPDE4DPTGES
SCHEMBL8602102 0.80 TYK2 (0.44) PDE4BPDE4APDE4CPDE4DPIK3C2B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0863881-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE IN THE PREVENTION AND/OR THE TREATMENT OF BONE DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-09-16 EP disclosed
WO-1997010219-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE IN THE PREVENTION AND/OR THE TREATMENT OF BONE DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-03-20 WO disclosed