SCHEMBL6961868

SCHEMBL6961868

CCn1c(CNC(N)=O)nc(C(C)C)c1Sc1cc(F)cc(F)c1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.30
GAA P10253 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
SCHEMBL6967170 0.90 SMN1; SMN2 (0.35) ALDH1A1LMNAMAPTHTTGAA
SCHEMBL6968447 0.90 CA2 (0.38) F2ALDH1A1LMNAHTTGAA
SCHEMBL6974137 0.87 CYP2C9 (0.32) LMNAHTT
SCHEMBL6965334 0.87 PARP1 (0.30)
SCHEMBL6959790 0.85 ALDH1A1 (0.31) ALDH1A1LMNAMAPT
SCHEMBL6974781 0.85 ENPP2 (0.35) LMNAMAPT
SCHEMBL7086092 0.84 LMNA (0.35) ALDH1A1LMNAMAPTHTT
SCHEMBL4892053 0.84 IRAK4 (0.31)
SCHEMBL6965378 0.84 LMNA (0.32) ALDH1A1LMNAMAPT
SCHEMBL6970221 0.83 S1PR3 (0.41) ALDH1A1

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