SCHEMBL6975183

SCHEMBL6975183

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

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.35
POLB P06746 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
KMT2A Q03164 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
LMNA P02545 2/20 0.35
RECQL P46063 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
TSHR P16473 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33
PLA2G2A P14555 1/20 0.33
GRM2 Q14416 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
AMPD2 Q01433 1/20 0.32
TLR7 Q9NYK1 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
SCHEMBL6973048 0.92 ENPP2 (0.35) ENPP2LMNAALDH1A1SMN1; SMN2NPSR1
SCHEMBL6974519 0.92 ENPP2 (0.35) ENPP2POLBKMT2AMEN1TLR7
SCHEMBL6967408 0.91 F10 (0.33) ENPP2POLBL3MBTL1LMNATSHR
SCHEMBL6961071 0.91 ALDH1A1 (0.36) POLBKMT2AL3MBTL1MEN1ALDH1A1
SCHEMBL6967887 0.91 LMNA (0.35) ENPP2POLBTDP1KMT2AL3MBTL1
SCHEMBL6967126 0.90 GRIN1 (0.37) ENPP2GRM2TLR7
SCHEMBL6967638 0.90 TDP1 (0.39) POLBTDP1KMT2AL3MBTL1LMNA
SCHEMBL7080037 0.90 POLB (0.37) POLBTDP1KMT2AL3MBTL1LMNA
SCHEMBL7085380 0.89 LMNA (0.36) POLBKMT2ALMNAMEN1ALDH1A1
SCHEMBL6971875 0.89 LMNA (0.41) TDP1LMNATLR7

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