SCHEMBL6967033

SCHEMBL6967033

CC(C)c1nc(CCOC(N)=O)n(Cc2ccc(N)cc2)c1Sc1cc(F)cc(F)c1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.31
PPARG P37231 5/20 0.31
AGTR1 P30556 2/20 0.31
AGTR2 P50052 2/20 0.31
TBXA2R P21731 2/20 0.30
TLR7 Q9NYK1 1/20 0.30
KCNH2 Q12809 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL6961399 0.95 PPARG (0.35) ENPP2PPARGAGTR1AGTR2TLR7
SCHEMBL6967887 0.92 LMNA (0.35) ENPP2PPARGTLR7ALDH1A1LMNA
SCHEMBL6967988 0.91 ENPP2 (0.35) ENPP2
SCHEMBL6973048 0.91 ENPP2 (0.35) ENPP2TBXA2RALDH1A1LMNASMN1; SMN2
SCHEMBL6974217 0.91 TLR7 (0.32) TLR7
SCHEMBL6966285 0.90 P2RX3 (0.33) PPARGALDH1A1SMN1; SMN2
SCHEMBL7081431 0.87 P2RX3 (0.33) PPARGKCNH2
SCHEMBL6971875 0.87 LMNA (0.41) PPARGAGTR1AGTR2TLR7KCNH2
SCHEMBL6974966 0.86 GRIN1 (0.36) ENPP2TLR7
SCHEMBL6965758 0.86 ENPP2 (0.34) ENPP2PPARGAGTR1AGTR2TLR7

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