SCHEMBL6967887

SCHEMBL6967887

CC(C)c1nc(CCOC(N)=O)n(Cc2ccccc2)c1Sc1cc(F)cc(F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
TDP1 Q9NUW8 1/20 0.34
PPARG P37231 3/20 0.33
ALDH1A1 P00352 3/20 0.33
ENPP2 Q13822 2/20 0.33
KDM4E B2RXH2 2/20 0.33
TSHR P16473 2/20 0.33
KMT2A Q03164 2/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 1/20 0.33
GNRHR P30968 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
RECQL P46063 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
SCHEMBL6971875 0.95 LMNA (0.41) LMNATDP1PPARGTLR7
SCHEMBL6967033 0.92 ENPP2 (0.31) LMNAPPARGALDH1A1ENPP2SMN1; SMN2
SCHEMBL6967988 0.92 ENPP2 (0.35) ENPP2KMT2APOLBMEN1
SCHEMBL6970753 0.92 ALDH1A1 (0.37) LMNAALDH1A1TSHRKMT2AGAA
SCHEMBL6974217 0.91 TLR7 (0.32) TLR7
SCHEMBL6975183 0.91 ENPP2 (0.35) LMNATDP1ALDH1A1ENPP2KDM4E
SCHEMBL6974966 0.91 GRIN1 (0.36) ENPP2TLR7
SCHEMBL6972389 0.90 LMNA (0.40) LMNATDP1PPARGALDH1A1TSHR
SCHEMBL6972473 0.90 LMNA (0.36) LMNATDP1ALDH1A1ENPP2KDM4E
SCHEMBL6960825 0.89 ALDH1A1 (0.32) ALDH1A1POLB

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