SCHEMBL8670347

SCHEMBL8670347

CC(=O)N1CCN(C(=O)Cn2c(C(F)(F)F)nc3c(NC(=O)c4c(Cl)cccc4Cl)cccc32)CC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
IRAK4 Q9NWZ3 11/20 0.40
TP53 P04637 1/20 0.40
PTGES O14684 2/20 0.39
ALDH1A1 P00352 2/20 0.38
HTT P42858 1/20 0.38
AURKA O14965 1/20 0.38
AURKB Q96GD4 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL13990316 0.89 IRAK4 (0.49) MAPTIRAK4ALDH1A1
SCHEMBL8596165 0.87 TP53 (0.45) TP53PTGESHTT
SCHEMBL8597312 0.84 TP53 (0.43) TP53PTGESHTT
SCHEMBL8596516 0.83 IRAK4 (0.49) IRAK4KDM4E
SCHEMBL8597937 0.82 TP53 (0.43) TP53PTGESHTT
SCHEMBL8596981 0.81 TP53 (0.44) TP53PTGESALDH1A1HTT
SCHEMBL8599109 0.81 IRAK4 (0.49) MAPTIRAK4
SCHEMBL8602447 0.81 IRAK4 (0.52) IRAK4
SCHEMBL8595161 0.81 PTGES (0.42) MAPTTP53PTGESALDH1A1KDM4E
SCHEMBL8601161 0.81 TP53 (0.46) MAPTTP53PTGESALDH1A1HTT

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