SCHEMBL6972424

SCHEMBL6972424

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
HPGD P15428 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HSP90AA1 P07900 1/20 0.38
CFTR P13569 1/20 0.37
KMT2A Q03164 4/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 5/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
CYP1A2 P05177 3/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
GFER P55789 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
CYP3A4 P08684 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
SCHEMBL6969208 0.92 HSP90AA1 (0.39) LMNAHPGDSMN1; SMN2ALDH1A1HSP90AA1
SCHEMBL7080984 0.90 LMNA (0.38) LMNAHPGDSMN1; SMN2ALDH1A1HSP90AA1
SCHEMBL7082403 0.88 HSP90AA1 (0.36) LMNAHPGDSMN1; SMN2ALDH1A1HSP90AA1
SCHEMBL7078920 0.88 ALDH1A1 (0.41) LMNAHPGDSMN1; SMN2ALDH1A1HSP90AA1
SCHEMBL6969470 0.88 HSP90AA1 (0.39) LMNAHPGDSMN1; SMN2ALDH1A1HSP90AA1
SCHEMBL6961422 0.88 HSP90AA1 (0.39) LMNAHPGDSMN1; SMN2ALDH1A1HSP90AA1
SCHEMBL6971348 0.87 CYP2C9 (0.38) LMNAHPGDSMN1; SMN2ALDH1A1HSP90AA1
SCHEMBL6971341 0.87 CYP2C9 (0.38) LMNAHPGDSMN1; SMN2ALDH1A1HSP90AA1
SCHEMBL6970666 0.87 PDE4A (0.38) LMNAHPGDSMN1; SMN2ALDH1A1HSP90AA1
SCHEMBL6973804 0.86 CACNA1F (0.36) LMNAHPGDSMN1; SMN2ALDH1A1HSP90AA1

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