SCHEMBL8345204

SCHEMBL8345204

CCC(=O)Oc1nc(C)n(C)c1Sc1cccc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 1/20 0.41
AKR1B1 P15121 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
ENPP2 Q13822 1/20 0.39
MAPT P10636 3/20 0.39
TP53 P04637 2/20 0.39
ALOX5 P09917 1/20 0.38
POLB P06746 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
SLC6A9 P48067 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
GABRA2 P47869 1/20 0.36

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
SCHEMBL8343056 0.80 MEN1 (0.35) ALOX12ENPP2MAPTTP53ALOX5
SCHEMBL6969170 0.76 MEN1 (0.41) ALOX12AKR1B1PTGDR2ENPP2MAPT
SCHEMBL8345201 0.75 AKR1B1 (0.43) AKR1B1PTGDR2ENPP2MAPTTP53
SCHEMBL6961690 0.74 PTGDR2 (0.42) AKR1B1PTGDR2ENPP2MAPTTP53
SCHEMBL6973394 0.72 MEN1 (0.42) AKR1B1PTGDR2MAPTPOLBMEN1
SCHEMBL6966777 0.71 MEN1 (0.46) AKR1B1PTGDR2MAPTPOLBMEN1
SCHEMBL8349460 0.68 ALOX12 (0.34) ALOX12MAPTTP53POLBSLC6A9
SCHEMBL6975073 0.68 MEN1 (0.46) AKR1B1PTGDR2MAPTPOLBMEN1
SCHEMBL6968122 0.67 MEN1 (0.36) ALOX12ENPP2MAPTTP53MEN1
SCHEMBL8345418 0.66 MAPT (0.34) MAPTTP53MEN1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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