SCHEMBL28111591

SCHEMBL28111591

CCOC(=O)c1cc2ccccc2n1CCCC#N

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.63
CRHBP P24387 1/20 0.63
CRHR2 Q13324 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
NOD2 Q9HC29 5/20 0.59
NOD1 Q9Y239 5/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
CNR2 P34972 5/20 0.57
F10 P00742 2/20 0.53
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
MCL1 Q07820 1/20 0.46
ALDH1A1 P00352 2/20 0.45
TSHR P16473 2/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL28099443 0.93 KDM4E (0.65) KDM4ECRHBPCRHR2SMN1; SMN2NOD2
SCHEMBL15649531 0.85 KDM4E (0.46) KDM4ECRHBPCRHR2SMN1; SMN2NOD2
SCHEMBL1392918 0.85 NOD2 (0.64) KDM4ECRHBPCRHR2SMN1; SMN2NOD2
SCHEMBL30585515 0.85 NOD2 (0.64) KDM4ECRHBPCRHR2SMN1; SMN2NOD2
SCHEMBL15622712 0.85 KDM4E (0.68) KDM4ECRHBPCRHR2SMN1; SMN2NOD2
SCHEMBL8244872 0.84 KDM4E (0.67) KDM4ECRHBPCRHR2SMN1; SMN2NOD2
SCHEMBL29463267 0.83 KDM4E (0.65) KDM4ECRHBPCRHR2SMN1; SMN2NOD2
SCHEMBL6752352 0.82 KDM4E (0.71) KDM4ECRHBPCRHR2SMN1; SMN2NOD2
SCHEMBL28112083 0.82 CNR2 (0.68) CNR2MCL1ALDH1A1TSHR
SCHEMBL8653460 0.82 KDM4E (0.64) KDM4ECRHBPCRHR2SMN1; SMN2NOD2

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
CN-104540817-B 1,3 dihydro 2H benzimidazole 2 ketone derivatives as the use heterocyclic substituted of respiratory syncytial virus antiviral agent 爱尔兰詹森科学公司 2017-03-01 CN disclosed