SCHEMBL7086919

SCHEMBL7086919

CC(C)c1nc(CCCOC(N)=O)n(Cc2ccccn2)c1Sc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.37
LMNA P02545 1/20 0.37
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PLA2G2A P14555 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
POLB P06746 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HRH2 P25021 1/20 0.32
TP53 P04637 1/20 0.32
PPARG P37231 2/20 0.31
ENPP2 Q13822 1/20 0.31
S1PR3 Q99500 1/20 0.31
FKBP1A P62942 1/20 0.31

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
SCHEMBL6966257 0.95 TLR7 (0.35) TLR7KDM4EALDH1A1PLA2G2APTGDR2
SCHEMBL6974739 0.91 PLA2G2A (0.35) TLR7LMNAKDM4EALDH1A1PLA2G2A
SCHEMBL7087646 0.91 S1PR3 (0.37) TLR7PLA2G2AS1PR3
SCHEMBL6961282 0.91 SMN1; SMN2 (0.35) TLR7ALDH1A1PLA2G2ATP53S1PR3
SCHEMBL6972895 0.91 S1PR3 (0.37) TLR7LMNAKDM4EALDH1A1PLA2G2A
SCHEMBL6972647 0.91 ADRA1D (0.34) TLR7LMNAKDM4EALDH1A1PLA2G2A
SCHEMBL6967466 0.90 ALDH1A1 (0.33) TLR7LMNAKDM4EALDH1A1PLA2G2A
SCHEMBL6967024 0.89 ALDH1A1 (0.35) TLR7LMNAKDM4EALDH1A1PLA2G2A
SCHEMBL6974911 0.88 CFTR (0.38) LMNAKDM4EALDH1A1POLBS1PR3
SCHEMBL7082248 0.86 LMNA (0.40) TLR7LMNAPPARGENPP2

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