SCHEMBL6973483

SCHEMBL6973483

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
MAPK1 P28482 1/20 0.35
SLC29A1 Q99808 1/20 0.35
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP19A1 P11511 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
LMNA P02545 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
RXFP1 Q9HBX9 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
SCHEMBL6966500 0.90 PDE4A (0.39) MAPTRAB9AKMT2AL3MBTL1POLB
SCHEMBL6975797 0.90 MAPT (0.35) MAPTRAB9AKMT2AL3MBTL1POLB
SCHEMBL6975800 0.90 MAPT (0.35) MAPTRAB9AKMT2AL3MBTL1POLB
SCHEMBL7081285 0.86 MAPT (0.37) MAPTRAB9AKMT2AL3MBTL1POLB
SCHEMBL6968703 0.86 MAPT (0.37) MAPTRAB9AKMT2AL3MBTL1POLB
SCHEMBL6970262 0.85 GRIN1 (0.41) CYP11B2
SCHEMBL6970594 0.85 ALDH1A1 (0.40) KMT2ASMN1; SMN2ALDH1A1KDM4ETDP1
SCHEMBL6962674 0.85 ALOX5AP (0.37) MAPTKMT2AL3MBTL1SMN1; SMN2MAPK1
SCHEMBL6973833 0.84 MAPT (0.36) MAPTRAB9AKMT2AL3MBTL1POLB
SCHEMBL7083710 0.84 KMT2A (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