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SCHEMBL8601241

SCHEMBL8601241

CC(C)Oc1cccc(OCC(F)(F)F)c1C(=O)Nc1cccc2c1nc(C(F)(F)F)n2CC(=O)N1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 17/20 0.46
▸ MAPT P10636 1/20 0.41
▸ FLT3 P36888 1/20 0.40
▸ TSHR P16473 1/20 0.39

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
SCHEMBL8599109 0.89 IRAK4 (0.49) IRAK4MAPTFLT3
SCHEMBL8602825 0.87 TSHR (0.52) IRAK4MAPTFLT3TSHR
SCHEMBL8602071 0.83 MAPT (0.46) IRAK4MAPTFLT3
SCHEMBL8602447 0.82 IRAK4 (0.52) IRAK4FLT3
SCHEMBL8596516 0.82 IRAK4 (0.49) IRAK4FLT3TSHR
SCHEMBL13990316 0.81 IRAK4 (0.49) IRAK4MAPTFLT3
SCHEMBL8565463 0.79 IRAK4 (0.48) IRAK4FLT3TSHR
SCHEMBL8602584 0.76 IRAK4 (0.44) IRAK4MAPTFLT3
SCHEMBL8599500 0.74 ALDH1A1 (0.51) IRAK4MAPT
SCHEMBL8670347 0.73 MAPT (0.48) IRAK4MAPT

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