SCHEMBL8600616

SCHEMBL8600616

CC(C(=O)OC(C)(C)C)n1c(C(N)=O)nc2c([N+](=O)[O-])cccc21

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DCTPP1 Q9H773 2/20 0.36
▸ HTT P42858 3/20 0.34
▸ ADORA3 P0DMS8 6/20 0.34
▸ ADORA2A P29274 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ F2RL3 Q96RI0 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ MET P08581 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ GSTP1 P09211 1/20 0.33
▸ GSTM2 P28161 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ LCK P06239 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 0.78 DCTPP1 (0.43) DCTPP1HTTADORA3ADORA2AALDH1A1
SCHEMBL8601277 0.72 DCTPP1 (0.41) DCTPP1HTTALDH1A1KDM4EKMT2A
SCHEMBL7484481 0.70 DCTPP1 (0.47) DCTPP1HTTALDH1A1MAPTMET
SCHEMBL2860553 0.67 MET (0.40) DCTPP1HTTALDH1A1MAPTKDM4E
SCHEMBL14423542 0.67 ELANE (0.41) HTTALDH1A1MAPTMEN1KMT2A
SCHEMBL28461199 0.65 PABPC1 (0.45) DCTPP1HTTALDH1A1MAPTMEN1
SCHEMBL29750672 0.65 MAPT (0.35) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL8602012 0.65 DCTPP1 (0.42) DCTPP1HTTADORA3ALDH1A1MAPT
SCHEMBL1885760 0.65 DCTPP1 (0.42) DCTPP1ALDH1A1KDM4E
SCHEMBL16811748 0.64 ALDH1A1 (0.56) HTTALDH1A1MAPTTDP1NPSR1

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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