SCHEMBL6975797

SCHEMBL6975797

CC(C)c1nc(/C=N/O)n(Cc2cccnc2)c1Sc1cccc([N+](=O)[O-])c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 2/20 0.35
MAPK1 P28482 1/20 0.35
MEN1 O00255 1/20 0.35
SLC29A1 Q99808 1/20 0.34
ALDH1A1 P00352 3/20 0.34
RXFP1 Q9HBX9 2/20 0.34
LMNA P02545 1/20 0.34
KDM4E B2RXH2 2/20 0.34
GNRHR P30968 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 1/20 0.33
PTAFR P25105 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
SCHEMBL6975800 1.00 MAPT (0.35) MAPTRAB9AKMT2AL3MBTL1POLB
SCHEMBL6972288 0.91 PDE4A (0.37) MAPTKMT2AL3MBTL1HPGDMEN1
SCHEMBL6972294 0.91 PDE4A (0.37) MAPTKMT2AL3MBTL1HPGDMEN1
SCHEMBL6973483 0.90 MAPT (0.37) MAPTRAB9AKMT2AL3MBTL1POLB
SCHEMBL6966644 0.85 ALDH1A1 (0.38) MAPTKMT2AL3MBTL1HPGDALDH1A1
SCHEMBL6966647 0.85 ALDH1A1 (0.38) MAPTKMT2AL3MBTL1HPGDALDH1A1
SCHEMBL6973265 0.85 GRIN1 (0.39) MAPTHPGDPTAFR
SCHEMBL6973263 0.85 GRIN1 (0.39) MAPTHPGDPTAFR
SCHEMBL6973778 0.85 SMN1; SMN2 (0.38) MAPTRAB9AKMT2AL3MBTL1POLB
SCHEMBL6973783 0.85 SMN1; SMN2 (0.38) MAPTRAB9AKMT2AL3MBTL1POLB

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