SCHEMBL6973833

SCHEMBL6973833

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 2/20 0.36
CYP19A1 P11511 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
HPGD P15428 1/20 0.35
ALDH1A1 P00352 4/20 0.35
LMNA P02545 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
KDM4E B2RXH2 2/20 0.35
FKBP1A P62942 1/20 0.34
GNRHR P30968 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 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
SCHEMBL6973612 0.95 KMT2A (0.39) MAPTRAB9AKMT2AMEN1L3MBTL1
SCHEMBL7081285 0.93 MAPT (0.37) MAPTRAB9AKMT2AMEN1L3MBTL1
SCHEMBL7083710 0.92 KMT2A (0.38) MAPTRAB9AKMT2AMEN1L3MBTL1
SCHEMBL8115209 0.91 TBXAS1 (0.38) MAPTRAB9AKMT2AMEN1POLB
SCHEMBL8115213 0.91 TBXAS1 (0.38) MAPTRAB9AKMT2AMEN1POLB
SCHEMBL6974012 0.91 PDE4A (0.38) MAPTKMT2AMEN1L3MBTL1POLB
SCHEMBL6974930 0.90 RXFP1 (0.36) MAPTRAB9AKMT2AL3MBTL1POLB
SCHEMBL6968703 0.90 MAPT (0.37) MAPTRAB9AKMT2AMEN1L3MBTL1
SCHEMBL6970047 0.89 POLB (0.39) MAPTKMT2AMEN1POLBALDH1A1
SCHEMBL6974823 0.88 MAPT (0.37) MAPTRAB9AKMT2AMEN1L3MBTL1

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