SCHEMBL6975217

SCHEMBL6975217

CCn1c(CNC(C)=O)nc(C(C)C)c1Sc1cccc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
CNR2 P34972 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
MTNR1A P48039 2/20 0.34
MTNR1B P49286 2/20 0.34

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
SCHEMBL6972417 0.91 TP53 (0.39) TP53RXFP1SMN1; SMN2POLBCNR2
SCHEMBL6964218 0.89 SMN1; SMN2 (0.35) SMN1; SMN2POLBL3MBTL1NPSR1LMNA
SCHEMBL7084176 0.88 SMN1; SMN2 (0.38) SMN1; SMN2POLBL3MBTL1NPSR1HTT
SCHEMBL6974325 0.88 TP53 (0.39) TP53RXFP1POLBL3MBTL1NPSR1
SCHEMBL6974067 0.88 POLB (0.38) TP53RXFP1SMN1; SMN2POLBL3MBTL1
SCHEMBL7080431 0.87 MEN1 (0.36) TP53RXFP1POLBL3MBTL1NPSR1
SCHEMBL7084307 0.87 SMN1; SMN2 (0.44) RXFP1SMN1; SMN2POLBL3MBTL1NPSR1
SCHEMBL6969739 0.85 POLB (0.38) TP53RXFP1POLBNPSR1
SCHEMBL6961885 0.85 TP53 (0.37) TP53RXFP1POLBL3MBTL1NPSR1
SCHEMBL6973819 0.85 TP53 (0.35) TP53RXFP1L3MBTL1NPSR1LMNA

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