SCHEMBL6973113

SCHEMBL6973113

CCCn1c(CCOC(N)=O)nc(C(C)C)c1Sc1cc(C)cc(C)c1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL6973264 0.94 ALDH1A1 (0.33) SMN1; SMN2ALDH1A1MAPTHTT
SCHEMBL6969235 0.92 TP53 (0.31) MAPT
SCHEMBL6969118 0.92
SCHEMBL6960602 0.90 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1MAPTHTTMEN1
SCHEMBL7084691 0.89 SMN1; SMN2 (0.32) SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL6969197 0.89 HSP90B1 (0.32) SMN1; SMN2
SCHEMBL6963739 0.89 MEN1 (0.35) SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL6974303 0.89
SCHEMBL6973092 0.88
SCHEMBL7085912 0.88 TP53 (0.32) MAPT

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