SCHEMBL7084665

SCHEMBL7084665

CC(=O)OCc1nc(Sc2cccc([N+](=O)[O-])c2)c(C(C)C)n1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 3/20 0.36
HPGD P15428 2/20 0.36
HSP90AA1 P07900 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 5/20 0.35
GLO1 Q04760 2/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RECQL P46063 1/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SLC5A1 P13866 1/20 0.35
SLC5A2 P31639 1/20 0.35
MAOB P27338 2/20 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
SCHEMBL6974900 0.91 LMNA (0.42) KMT2AMEN1MAPTHPGDHSP90AA1
SCHEMBL6974125 0.90 CYP2C9 (0.39) KMT2AMEN1MAPTHPGDHSP90AA1
SCHEMBL7079831 0.86 HSP90AA1 (0.41) KMT2AMEN1MAPTHPGDHSP90AA1
SCHEMBL6966066 0.86 HSP90AA1 (0.36) KMT2AMEN1MAPTHPGDHSP90AA1
SCHEMBL7086366 0.85 PDE4A (0.37) KMT2AMEN1MAPTHPGDHTT
SCHEMBL6969746 0.85 MEN1 (0.40) KMT2AMEN1MAPTHPGDHSP90AA1
SCHEMBL6964412 0.84 ALOX12 (0.41) KMT2AMEN1MAPTHPGDALDH1A1
SCHEMBL6973122 0.84 MIF (0.36) KMT2AMEN1MAPTALDH1A1CYP2C9
SCHEMBL6973535 0.84 HSP90AA1 (0.41) KMT2AMAPTHPGDHSP90AA1TDP1
SCHEMBL6967031 0.83 CYP1A2 (0.44) KMT2AMEN1MAPTHPGDTDP1

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