SCHEMBL6969228

SCHEMBL6969228

CC(C)c1nc(CCCOC(N)=O)n(C)c1Sc1cccc([N+](=O)[O-])c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 8/20 0.35
CACNA1D Q01668 8/20 0.35
CACNA1S Q13698 8/20 0.35
CACNA1C Q13936 8/20 0.35
LMNA P02545 4/20 0.35
CYP2C9 P11712 3/20 0.35
CYP2C19 P33261 3/20 0.35
MEN1 O00255 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP2D6 P10635 2/20 0.35
MAPT P10636 2/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
THPO P40225 1/20 0.35
RECQL P46063 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL7080662 0.95 LMNA (0.36) CACNA1FCACNA1DCACNA1SCACNA1CLMNA
SCHEMBL7084576 0.90 LMNA (0.35) CACNA1FCACNA1DCACNA1SCACNA1CLMNA
SCHEMBL6964484 0.90 CACNA1F (0.36) CACNA1FCACNA1DCACNA1SCACNA1CLMNA
SCHEMBL7080305 0.89 LMNA (0.42) CACNA1FCACNA1DCACNA1SCACNA1CLMNA
SCHEMBL6971525 0.86 NPC1 (0.36) CACNA1FCACNA1DCACNA1SCACNA1CLMNA
SCHEMBL6972247 0.86 HSP90AA1 (0.38) LMNACYP2C9CYP2C19MEN1KMT2A
SCHEMBL6969465 0.85 MAOB (0.38) LMNAMEN1KMT2A
SCHEMBL7084556 0.85 EPHX1 (0.34) LMNACYP2C9CYP2C19MEN1CYP1A2
SCHEMBL6973302 0.85 MEN1 (0.35) LMNACYP2C9CYP2C19MEN1CYP1A2
SCHEMBL6961350 0.85 LMNA (0.43) LMNACYP2C9CYP2C19MEN1CYP1A2

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