SCHEMBL6973586

SCHEMBL6973586

COC(=O)CCc1nc(C(C)C)c(Sc2ccccc2)n1Cc1cccnc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
ENPP2 Q13822 5/20 0.40
HDAC6 Q9UBN7 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
KDM4E B2RXH2 2/20 0.37
KMT2A Q03164 2/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
LMNA P02545 1/20 0.36
TBXAS1 P24557 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
SCHEMBL8342977 0.91 LMNA (0.45) ENPP2HDAC6HDAC1HDAC8LMNA
SCHEMBL6969581 0.90 ENPP2 (0.37) CYP11B1CYP11B2ENPP2LMNATBXAS1
SCHEMBL6968344 0.90 ALDH1A1 (0.41) CYP11B1CYP11B2ENPP2KDM4EKMT2A
SCHEMBL6968962 0.90 CYP11B1 (0.41) CYP11B1CYP11B2ENPP2KDM4EKMT2A
SCHEMBL6970047 0.87 POLB (0.39) KMT2AHTTSMN1; SMN2MEN1GAA
SCHEMBL7081149 0.86 TLR7 (0.39) ENPP2HDAC1HDAC8KDM4EHTT
SCHEMBL7084562 0.85 KDM4E (0.37) ENPP2HDAC1HDAC8KDM4EKMT2A
SCHEMBL6974469 0.85 TLR7 (0.36) ENPP2HDAC1HDAC8KDM4EKMT2A
SCHEMBL6971326 0.84 HTT (0.41) KDM4EKMT2AHTTSMN1; SMN2LMNA
SCHEMBL7080963 0.84 TLR7 (0.41) CYP11B1CYP11B2ENPP2HDAC1HDAC8

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
EP-0786455-A1 IMIDAZOLE DERIVATIVE SHIONOGI & CO., LTD. (JP) 1997-07-30 EP disclosed