SCHEMBL8599561

SCHEMBL8599561

CC(C)(C)OC(=O)Cn1c(C#N)nc2c(N)cccc21

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ TLR8 Q9NR97 1/20 0.38
▸ PKN1 Q16512 1/20 0.37
▸ PKN2 Q16513 1/20 0.37
▸ FBP1 P09467 4/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.35
▸ GLA P06280 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ SCN10A Q9Y5Y9 1/20 0.34
▸ NR1H2 P55055 2/20 0.33
▸ CHEK1 O14757 1/20 0.32
▸ CACNA1B Q00975 1/20 0.32

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
SCHEMBL8602012 0.83 DCTPP1 (0.42) KDM4EALDH1A1PKN1PKN2KMT2A
SCHEMBL1889761 0.80 KDM4E (0.44) KDM4EALDH1A1TLR8FBP1KMT2A
SCHEMBL8599822 0.78 ALDH1A1 (0.37) KDM4EALDH1A1KMT2AMAPT
SCHEMBL13318998 0.69 ALDH1A1 (0.52) KDM4EALDH1A1TLR8FBP1KMT2A
SCHEMBL24774224 0.68 ALDH1A1 (0.46) KDM4EALDH1A1PKN1PKN2KMT2A
SCHEMBL30952847 0.68 KDM4E (0.46) KDM4EALDH1A1PKN1PKN2KMT2A
SCHEMBL24744761 0.68 KDM4E (0.46) KDM4EALDH1A1PKN1PKN2KMT2A
SCHEMBL8598596 0.68 DCTPP1 (0.43) KDM4EALDH1A1PKN1PKN2KMT2A
SCHEMBL3908139 0.68 KDM4E (0.45) KDM4EALDH1A1KMT2AHPGDSCN9A
SCHEMBL7016266 0.67 NR1H2 (0.46) FBP1NR1H2

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
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