SCHEMBL6958208

SCHEMBL6958208

COc1ccc(COCc2nc(C(C)C)c(Sc3cc(Cl)cc(Cl)c3)n2CC(F)(F)F)cc1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
DHODH Q02127 1/20 0.32
TP53 P04637 1/20 0.31
GAA P10253 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
CCR2 P41597 1/20 0.30
DCTPP1 Q9H773 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
SCHEMBL6974229 0.89 MAPT (0.34) MAPTSMN1; SMN2DHODHTP53GAA
SCHEMBL6965629 0.87 DHFR (0.33) MAPTSMN1; SMN2DHODHTP53GAA
SCHEMBL6957630 0.86 DHODH (0.39) MAPTSMN1; SMN2DHODHTP53GAA
SCHEMBL14439857 0.86 DHODH (0.39) MAPTSMN1; SMN2DHODHTP53GAA
SCHEMBL6963914 0.85 NPC1 (0.38) MAPTSMN1; SMN2DHODHTP53GAA
SCHEMBL6964520 0.85 DHODH (0.34) MAPTSMN1; SMN2DHODHTP53GAA
SCHEMBL6969562 0.85 CCR2 (0.35) MAPTSMN1; SMN2DHODHCCR2
SCHEMBL6967218 0.84 MAPT (0.35) MAPTSMN1; SMN2DHODHTP53
SCHEMBL6974846 0.84 MEN1 (0.36) MAPTSMN1; SMN2DHODHTP53GAA
SCHEMBL6973428 0.82 GABRA1 (0.36) MAPTSMN1; SMN2DHODHTP53GAA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0786455-B1 IMIDAZOLE DERIVATIVE SHIONOGI & CO (JP) 2003-12-03 EP claimed
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