SCHEMBL8598596

SCHEMBL8598596

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DCTPP1 Q9H773 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ PKN1 Q16512 1/20 0.39
▸ PKN2 Q16513 1/20 0.39
▸ NR1D1 P20393 3/20 0.36
▸ ADORA3 P0DMS8 1/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ CXCR3 P49682 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ PLA2G2A P14555 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL8601277 0.88 DCTPP1 (0.41) DCTPP1ALDH1A1KDM4EKMT2ACXCR3
SCHEMBL8602012 0.84 DCTPP1 (0.42) DCTPP1ALDH1A1KDM4EPKN1PKN2
SCHEMBL1885760 0.82 DCTPP1 (0.42) DCTPP1ALDH1A1KDM4E
SCHEMBL8600616 0.78 DCTPP1 (0.36) DCTPP1ALDH1A1KDM4EADORA3KMT2A
SCHEMBL261021 0.74 ALDH1A1 (0.43) ALDH1A1KDM4EKMT2AHTTMEN1
SCHEMBL2054568 0.73 KDM4E (0.43) ALDH1A1KDM4EKMT2AHTTMEN1
SCHEMBL261338 0.73 ALDH1A1 (0.44) ALDH1A1KDM4EADORA3HTTMAPT
SCHEMBL3730551 0.72 DCTPP1 (0.57) DCTPP1ALDH1A1KDM4EKMT2AHTT
SCHEMBL7484481 0.71 DCTPP1 (0.47) DCTPP1ALDH1A1HTTMAPT
SCHEMBL1885547 0.69 ALDH1A1 (0.41) ALDH1A1KDM4EMAPT

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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