SCHEMBL6973302

SCHEMBL6973302

CC(C)c1nc(CCCOC(N)=O)n(Cc2ccncc2)c1Sc1cccc([N+](=O)[O-])c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
PDE4A P27815 1/20 0.34
POLB P06746 1/20 0.34
PDE4D Q08499 1/20 0.34
PDE4B Q07343 1/20 0.34
FKBP1A P62942 1/20 0.34
CYP19A1 P11511 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 3/20 0.33
CYP2C19 P33261 3/20 0.33
CYP2D6 P10635 2/20 0.33
RECQL P46063 1/20 0.33
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32

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
SCHEMBL6973752 0.95 PDE4A (0.35) MEN1KMT2APDE4APOLBPDE4D
SCHEMBL6969509 0.92 PDE4A (0.34) MEN1KMT2APDE4APOLBPDE4D
SCHEMBL7085948 0.92 FKBP1A (0.41) MEN1KMT2APOLBFKBP1ACYP19A1
SCHEMBL6968230 0.91 PDE4A (0.36) MEN1KMT2APDE4APOLBPDE4D
SCHEMBL6964484 0.89 CACNA1F (0.36) MEN1KMT2AMAPTCYP2C9CYP2C19
SCHEMBL7086066 0.88 KMT2A (0.36) MEN1KMT2APDE4APOLBPDE4D
SCHEMBL6965960 0.88 LMNA (0.34) MAPTLMNA
SCHEMBL6970308 0.88 PDE4A (0.37) MEN1KMT2APDE4APOLBPDE4D
SCHEMBL6974911 0.88 CFTR (0.38) MEN1KMT2APOLBMAPTCYP1A2
SCHEMBL6972238 0.87 PPARG (0.34) TLR7CYP2C9CYP2C19CYP2D6CYP1A2

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