SCHEMBL6972786

SCHEMBL6972786

CCCn1c(CO)nc(C(C)C)c1Sc1cccc([N+](=O)[O-])c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HTT P42858 2/20 0.42
HPGD P15428 4/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CFTR P13569 1/20 0.40
HSP90AA1 P07900 1/20 0.38
LMNA P02545 3/20 0.36
GFER P55789 1/20 0.35
IRAK4 Q9NWZ3 2/20 0.35
ADORA3 P0DMS8 1/20 0.33
ADORA2B P29275 1/20 0.33
CACNA1C Q13936 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
SCHEMBL6961422 0.92 HSP90AA1 (0.39) ALDH1A1MAPTSMN1; SMN2HPGDKMT2A
SCHEMBL6966439 0.88 HSP90AA1 (0.41) ALDH1A1MAPTSMN1; SMN2HPGDKMT2A
SCHEMBL6969264 0.87 ALDH1A1 (0.41) ALDH1A1MAPTSMN1; SMN2HTTHPGD
SCHEMBL6968955 0.86 MAPT (0.42) ALDH1A1MAPTSMN1; SMN2HPGDKMT2A
SCHEMBL6976452 0.86 CFTR (0.40) ALDH1A1MAPTSMN1; SMN2HPGDKMT2A
SCHEMBL6960973 0.85 MAPT (0.39) ALDH1A1MAPTSMN1; SMN2HTTHPGD
SCHEMBL6963024 0.85 PDE4A (0.39) ALDH1A1MAPTHPGDKMT2AMEN1
SCHEMBL7080984 0.84 LMNA (0.38) ALDH1A1MAPTSMN1; SMN2HPGDKMT2A
SCHEMBL6972931 0.83 CFTR (0.44) ALDH1A1MAPTSMN1; SMN2HTTHPGD
SCHEMBL7081285 0.82 MAPT (0.37) ALDH1A1MAPTSMN1; SMN2HPGDKMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0786455-B1 IMIDAZOLE DERIVATIVE SHIONOGI & CO (JP) 2003-12-03 EP disclosed
US-6147097-A METHOD FOR TREATING AIDS SHIONOGI & CO., LTD. (JP) 2000-11-14 US disclosed
US-5910506-A IMIDAZOLE DERIVATIVES, E.G.5-(3,5-DICHLOROPHENYLTHIO)-1,2-DIMETHYL-4-ISOPROPYL-1H-IMIDAZOLE; VIRICIDES; AIDS; NONTOXIC SHIONOGI & CO., LTD. (JP) 1999-06-08 US disclosed
EP-0786455-A1 IMIDAZOLE DERIVATIVE SHIONOGI & CO., LTD. (JP) 1997-07-30 EP disclosed