SCHEMBL7084947

SCHEMBL7084947

CC(C)c1c(Sc2cccc(F)c2)nc(COC(N)=O)n1C

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.37
CA2 P00918 2/20 0.37
CA4 P22748 2/20 0.37
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
SLC6A9 P48067 5/20 0.35
LMNA P02545 3/20 0.33
PPARG P37231 1/20 0.33
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TP53 P04637 1/20 0.32
HAO1 Q9UJM8 1/20 0.32
MAPT P10636 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
SCHEMBL6973122 0.91 MIF (0.36) EPHX1CA2CA4MAOAMAOB
SCHEMBL6975484 0.89 LMNA (0.36) LMNA
SCHEMBL7081810 0.88 CA2 (0.38) EPHX1CA2CA4MAOAMAOB
SCHEMBL6969756 0.88 ALOX12 (0.40) MAOAMAOBSLC6A9LMNAALDH1A1
SCHEMBL6965417 0.87 LMNA (0.37) EPHX1LMNAALDH1A1L3MBTL1TP53
SCHEMBL6974900 0.84 LMNA (0.42) LMNAALDH1A1MAPT
SCHEMBL6969795 0.84 EPHX1 (0.37) EPHX1CA2CA4MAOAMAOB
SCHEMBL7081063 0.83 ENPP2 (0.35) EPHX1CA2CA4SLC6A9LMNA
SCHEMBL7080119 0.82 MAOA (0.38) EPHX1CA2CA4MAOAMAOB
SCHEMBL6961911 0.82 MAOA (0.38) EPHX1CA2CA4MAOAMAOB

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