SCHEMBL8598985

SCHEMBL8598985

O=C(Nc1c(Cl)cccc1Cl)c1cccc2c1nc(C(F)(F)F)n2CCBr

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.42
PDE4A P27815 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
PTGES O14684 5/20 0.38
P2RX1 P51575 1/20 0.38
P2RX4 Q99571 1/20 0.38
P2RX7 Q99572 1/20 0.38
TMPRSS4 Q9NRS4 1/20 0.38
PIK3C2B O00750 1/20 0.37
LCK P06239 1/20 0.36
TYK2 P29597 1/20 0.36
DCTPP1 Q9H773 1/20 0.36
POLB P06746 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 0.91 PDE4B (0.43) PDE4BPDE4APDE4CPDE4DPTGES
SCHEMBL8600336 0.85 PDE4B (0.43) PDE4BPDE4APDE4CPDE4DPTGES
SCHEMBL8595606 0.84 PDE4B (0.46) PDE4BPDE4APDE4CPDE4DPTGES
SCHEMBL8598600 0.84 THRB (0.42) PDE4BPDE4APDE4CPDE4DPTGES
SCHEMBL8602102 0.84 TYK2 (0.44) PDE4BPDE4APDE4CPDE4DP2RX1
SCHEMBL8600059 0.83 PTGES (0.40) PDE4BPDE4APDE4CPDE4DPTGES
SCHEMBL8597865 0.82 PDE4A (0.39) PDE4BPDE4APDE4CPDE4DPTGES
SCHEMBL8596934 0.81 CNR1 (0.40) PDE4BPDE4APDE4CPDE4DPTGES
SCHEMBL8601221 0.81 HPGD (0.46) PDE4BPDE4APDE4CPDE4DPTGES
SCHEMBL8599983 0.81 TYK2 (0.40) PTGESLCKTYK2DCTPP1

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