SCHEMBL8601277

SCHEMBL8601277

CC(C)(C)OC(=O)COC(=O)c1nc2c([N+](=O)[O-])cccc2n1CC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DCTPP1 Q9H773 2/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ KMT2A Q03164 1/20 0.35
▸ HTT P42858 2/20 0.35
▸ MET P08581 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ IRAK1 P51617 1/20 0.34
▸ IRAK4 Q9NWZ3 1/20 0.34
▸ CXCR3 P49682 1/20 0.33

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
SCHEMBL8598596 0.88 DCTPP1 (0.43) DCTPP1ALDH1A1KDM4EKMT2AHTT
SCHEMBL1885760 0.80 DCTPP1 (0.42) DCTPP1ALDH1A1KDM4EIRAK1IRAK4
SCHEMBL8602012 0.80 DCTPP1 (0.42) DCTPP1ALDH1A1KDM4EKMT2AHTT
SCHEMBL3730551 0.73 DCTPP1 (0.57) DCTPP1ALDH1A1KDM4EKMT2AHTT
SCHEMBL261021 0.72 ALDH1A1 (0.43) ALDH1A1KDM4EKMT2AHTTGAA
SCHEMBL8600616 0.72 DCTPP1 (0.36) DCTPP1ALDH1A1KDM4EKMT2AHTT
SCHEMBL2054568 0.72 KDM4E (0.43) ALDH1A1KDM4EKMT2AHTTHSD17B10
SCHEMBL28461199 0.71 PABPC1 (0.45) DCTPP1ALDH1A1KMT2AHTTGAA
SCHEMBL261338 0.71 ALDH1A1 (0.44) ALDH1A1KDM4EHTTL3MBTL1
SCHEMBL25191965 0.69 APEX1 (0.56) ALDH1A1HTT

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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