SCHEMBL20530728

SCHEMBL20530728

c1ccc(CCN2COc3c(ccc4cccnc34)C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
EGLN1 Q9GZT9 1/20 0.37
SLC40A1 Q9NP59 2/20 0.37
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
FAAH O00519 1/20 0.36
GLO1 Q04760 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 2/20 0.36
HRH3 Q9Y5N1 2/20 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
SCHEMBL20530703 0.82 CYP1A2 (0.43) CYP1A2SMN1; SMN2KDM4ELMNAGAA
SCHEMBL20530724 0.80 HTR2A (0.46) LMNAHTTHTR1ADRD2HTR2A
SCHEMBL20530691 0.77 SMN1; SMN2 (0.40) SMN1; SMN2KDM4EGAAMAPTEGLN1
SCHEMBL20530716 0.75 LMNA (0.39) CYP1A2SMN1; SMN2KDM4ELMNAGAA
SCHEMBL20530714 0.75 SMN1; SMN2 (0.48) CYP1A2SMN1; SMN2KDM4ELMNAGAA
SCHEMBL20530712 0.73 LMNA (0.41) SMN1; SMN2KDM4ELMNAGAAMAPT
SCHEMBL20530713 0.73 LMNA (0.41) SMN1; SMN2KDM4ELMNAGAAMAPT
SCHEMBL10044970 0.73 LMNA (0.42) SMN1; SMN2KDM4ELMNAGAAMAPT
SCHEMBL10311138 0.73 ALDH1A1 (0.45) CYP1A2SMN1; SMN2KDM4ELMNAMAPT
SCHEMBL10311139 0.70 KDM4E (0.39) SMN1; SMN2KDM4ELMNAGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3388419-A1 GLI1 INHIBITORS AND USES THEREOF Leadiant Biosciences SA (CH) 2018-10-17 EP claimed
EP-3388419-A1 GLI1 INHIBITORS AND USES THEREOF Leadiant Biosciences SA (CH) 2018-10-17 EP disclosed