SCHEMBL8602012

SCHEMBL8602012

CC(C)(C)OC(=O)Cn1c(C#N)nc2c([N+](=O)[O-])cccc21

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DCTPP1 Q9H773 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ KMT2A Q03164 1/20 0.34
▸ NR1D1 P20393 3/20 0.33
▸ HTT P42858 3/20 0.33
▸ MET P08581 1/20 0.33
▸ PABPC1 P11940 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ PKN1 Q16512 1/20 0.33
▸ PKN2 Q16513 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ IRAK1 P51617 1/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ ADORA3 P0DMS8 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
SCHEMBL8598596 0.84 DCTPP1 (0.43) DCTPP1ALDH1A1KDM4EKMT2ANR1D1
SCHEMBL8599561 0.83 KDM4E (0.44) ALDH1A1KDM4EKMT2AMAPTPKN1
SCHEMBL1885760 0.81 DCTPP1 (0.42) DCTPP1ALDH1A1KDM4EPABPC1IRAK1
SCHEMBL8601277 0.80 DCTPP1 (0.41) DCTPP1ALDH1A1KDM4EKMT2AHTT
SCHEMBL8599822 0.75 ALDH1A1 (0.37) ALDH1A1KDM4EKMT2AHTTMAPT
SCHEMBL261338 0.72 ALDH1A1 (0.44) ALDH1A1KDM4EHTTMAPTNPSR1
SCHEMBL3730551 0.71 DCTPP1 (0.57) DCTPP1ALDH1A1KDM4EKMT2AHTT
SCHEMBL261021 0.71 ALDH1A1 (0.43) ALDH1A1KDM4EKMT2AHTTLMNA
SCHEMBL2054568 0.70 KDM4E (0.43) ALDH1A1KDM4EKMT2AHTTLMNA
SCHEMBL27703390 0.70 ALDH1A1 (0.41) ALDH1A1KDM4EKMT2ANR1D1HTT

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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