SCHEMBL6233694

SCHEMBL6233694

Cc1cnc(CCNCc2ccc(OCc3ccccc3)c(Cl)c2)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.53
LMNA P02545 3/20 0.53
KDM4E B2RXH2 2/20 0.53
HTT P42858 2/20 0.53
ALDH1A1 P00352 2/20 0.53
NLRP3 Q96P20 1/20 0.51
SLC2A1 P11166 1/20 0.49
BCHE P06276 6/20 0.48
KMT2A Q03164 5/20 0.48
NPY1R P25929 1/20 0.48
NPY2R P49146 1/20 0.48
CD274 Q9NZQ7 2/20 0.48
MEN1 O00255 4/20 0.47
MAPK1 P28482 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PLK1 P53350 1/20 0.44
ATM Q13315 1/20 0.44
HTR1A P08908 1/20 0.44
HTR7 P34969 1/20 0.44
HTR6 P50406 1/20 0.44

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
SCHEMBL6233816 0.89 SLC2A1 (0.51) SMN1; SMN2LMNAKDM4EHTTALDH1A1
SCHEMBL6239778 0.88 BCHE (0.65) SMN1; SMN2LMNAKDM4EHTTALDH1A1
SCHEMBL6230157 0.87 KMT2A (0.58) SMN1; SMN2LMNAKDM4EHTTALDH1A1
SCHEMBL6235290 0.86 PLK1 (0.40) SMN1; SMN2LMNAKDM4EHTTALDH1A1
SCHEMBL6233374 0.84 SMN1; SMN2 (0.53) SMN1; SMN2LMNAKDM4EHTTALDH1A1
SCHEMBL6235952 0.83 PDCD1 (0.51) SMN1; SMN2LMNAKDM4EHTTALDH1A1
SCHEMBL6240567 0.82 BCHE (0.64) BCHEKMT2AMEN1MAPK1
SCHEMBL6236432 0.81 BCHE (0.46) SMN1; SMN2ALDH1A1BCHEKMT2AMEN1
SCHEMBL6235980 0.80 SMN1; SMN2 (0.59) SMN1; SMN2LMNAKDM4EHTTALDH1A1
SCHEMBL6235480 0.78 BCHE (0.53) SMN1; SMN2LMNAKDM4EHTTALDH1A1

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
WO-2005000309-A2 CHEMICAL COMPOUNDS IONIX PHARMACEUTICALS LIMITED (GB) 2005-01-06 WO disclosed