SCHEMBL7084307

SCHEMBL7084307

CCn1c(CNC(C)=O)nc(C(C)C)c1Sc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
ACSS2 Q9NR19 1/20 0.39
HTT P42858 2/20 0.38
POLB P06746 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
MTNR1A P48039 4/20 0.37
MTNR1B P49286 4/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL7086092 0.90 LMNA (0.35) SMN1; SMN2HTTPOLBALDH1A1LMNA
SCHEMBL7084176 0.87 SMN1; SMN2 (0.38) SMN1; SMN2L3MBTL1ACSS2HTTPOLB
SCHEMBL6975217 0.87 TP53 (0.39) SMN1; SMN2L3MBTL1HTTPOLBMTNR1A
SCHEMBL7084094 0.86 SMN1; SMN2 (0.40) SMN1; SMN2L3MBTL1POLBMTNR1AMTNR1B
SCHEMBL7082939 0.85 SMN1; SMN2 (0.31) SMN1; SMN2ALDH1A1LMNA
SCHEMBL7082255 0.85 ALDH1A1 (0.41) SMN1; SMN2L3MBTL1POLBALDH1A1MEN1
SCHEMBL6964218 0.84 SMN1; SMN2 (0.35) SMN1; SMN2L3MBTL1ACSS2HTTPOLB
SCHEMBL6967170 0.84 SMN1; SMN2 (0.35) SMN1; SMN2L3MBTL1ACSS2HTTPOLB
SCHEMBL6965884 0.84 ALDH1A1 (0.41) SMN1; SMN2L3MBTL1HTTPOLBALDH1A1
SCHEMBL6966426 0.84 IRAK4 (0.39) SMN1; SMN2L3MBTL1POLBALDH1A1KDM4E

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