SCHEMBL6973701

SCHEMBL6973701

CCn1c(C=O)nc(C(C)C)c1Sc1cccc([N+](=O)[O-])c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.40
HSP90AA1 P07900 3/20 0.39
CFTR P13569 2/20 0.38
LMNA P02545 4/20 0.37
ALDH1A1 P00352 4/20 0.37
HPGD P15428 3/20 0.37
MAPT P10636 6/20 0.36
KMT2A Q03164 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MEN1 O00255 1/20 0.35
GFER P55789 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
NPC1 O15118 2/20 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
SCHEMBL6973783 0.88 SMN1; SMN2 (0.38) SMN1; SMN2HSP90AA1CFTRLMNAALDH1A1
SCHEMBL6973778 0.88 SMN1; SMN2 (0.38) SMN1; SMN2HSP90AA1CFTRLMNAALDH1A1
SCHEMBL6966500 0.86 PDE4A (0.39) HSP90AA1LMNAALDH1A1HPGDMAPT
SCHEMBL6964074 0.86 HSP90AA1 (0.42) SMN1; SMN2HSP90AA1LMNAALDH1A1HPGD
SCHEMBL6973761 0.85 CFTR (0.44) SMN1; SMN2HSP90AA1CFTRLMNAALDH1A1
SCHEMBL6973483 0.84 MAPT (0.37) SMN1; SMN2LMNAALDH1A1HPGDMAPT
SCHEMBL6961422 0.83 HSP90AA1 (0.39) SMN1; SMN2HSP90AA1CFTRLMNAALDH1A1
SCHEMBL6969208 0.83 HSP90AA1 (0.39) SMN1; SMN2HSP90AA1CFTRLMNAALDH1A1
SCHEMBL6969470 0.83 HSP90AA1 (0.39) SMN1; SMN2HSP90AA1CFTRLMNAALDH1A1
SCHEMBL7084710 0.83 SMN1; SMN2 (0.40) SMN1; SMN2HSP90AA1CFTRLMNAALDH1A1

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 3 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