SCHEMBL7084562

SCHEMBL7084562

CC(=O)OCCc1nc(C(C)C)c(Sc2ccccc2)n1Cc1cccnc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
S1PR3 Q99500 1/20 0.35
KMT2A Q03164 3/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CHRNA7 P36544 1/20 0.35
ENPP2 Q13822 2/20 0.35
GABRA1 P14867 1/20 0.35
GABRA5 P31644 1/20 0.35
MDM2 Q00987 1/20 0.35
MEN1 O00255 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
CYP2C9 P11712 1/20 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
SCHEMBL6973129 0.92 ALDH1A1 (0.35) KDM4EALDH1A1HDAC1HDAC8L3MBTL1
SCHEMBL6974469 0.92 TLR7 (0.36) KDM4EALDH1A1HDAC1HDAC8L3MBTL1
SCHEMBL6969306 0.91 KMT2A (0.39) KDM4EALDH1A1L3MBTL1S1PR3KMT2A
SCHEMBL7086211 0.90 ALDH1A1 (0.39) ALDH1A1KMT2ASMN1; SMN2GABRA1GABRA5
SCHEMBL6972580 0.90 GRIN1 (0.36) HDAC1HDAC8S1PR3KMT2AENPP2
SCHEMBL8342977 0.87 LMNA (0.45) HDAC1HDAC8ENPP2PTGDR2
SCHEMBL6971258 0.87 LMNA (0.40) HDAC1HDAC8L3MBTL1TLR7S1PR3
SCHEMBL7081149 0.86 TLR7 (0.39) KDM4EALDH1A1HDAC1HDAC8TLR7
SCHEMBL6973586 0.85 CYP11B1 (0.41) KDM4EHDAC1HDAC8KMT2AHTT
SCHEMBL7086385 0.84 TLR7 (0.35) KDM4EALDH1A1L3MBTL1TLR7S1PR3

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 3 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