SCHEMBL6973533

SCHEMBL6973533

CC(C)c1nc(CCCOC(N)=O)n(CCCc2ccncc2)c1Sc1cc(F)cc(F)c1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
GSK3B P49841 2/20 0.32
MAPK14 Q16539 1/20 0.30
CYP19A1 P11511 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
SCHEMBL6972000 0.96 MEN1 (0.33) LMNAGSK3BCYP19A1
SCHEMBL7084040 0.96 LMNA (0.31) LMNAGSK3BMAPK14CYP19A1
SCHEMBL6969841 0.92 LMNA (0.44) LMNAGSK3B
SCHEMBL6965758 0.92 ENPP2 (0.34) LMNAGSK3BCYP19A1
SCHEMBL7080027 0.92 MAPK14 (0.31) MAPK14
SCHEMBL7080228 0.91 MEN1 (0.34) CYP19A1
SCHEMBL6973057 0.90 LMNA (0.34) LMNAGSK3B
SCHEMBL6973439 0.89 GLA (0.31) LMNA
SCHEMBL6972389 0.88 LMNA (0.40) LMNA
SCHEMBL7085936 0.88 LMNA (0.42) LMNA

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