SCHEMBL6230157

SCHEMBL6230157

CCOc1cc(CNCCc2ncc(C)s2)ccc1OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.58
SMN1; SMN2 Q16637 6/20 0.58
MEN1 O00255 4/20 0.58
GAA P10253 1/20 0.58
SLC2A1 P11166 1/20 0.56
ATM Q13315 1/20 0.56
LMNA P02545 4/20 0.53
BCHE P06276 2/20 0.53
KDM4E B2RXH2 2/20 0.53
HTT P42858 2/20 0.53
NPY1R P25929 1/20 0.53
NPY2R P49146 1/20 0.53
ALDH1A1 P00352 2/20 0.52
NLRP3 Q96P20 1/20 0.50
MAPT P10636 3/20 0.48
TP53 P04637 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48

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
SCHEMBL6239778 0.91 BCHE (0.65) KMT2ASMN1; SMN2MEN1SLC2A1LMNA
SCHEMBL6233816 0.89 SLC2A1 (0.51) KMT2ASMN1; SMN2MEN1GAASLC2A1
SCHEMBL6233694 0.87 SMN1; SMN2 (0.53) KMT2ASMN1; SMN2MEN1GAASLC2A1
SCHEMBL6235952 0.82 PDCD1 (0.51) KMT2ASMN1; SMN2MEN1GAASLC2A1
SCHEMBL6240567 0.82 BCHE (0.64) KMT2AMEN1BCHE
SCHEMBL6235980 0.81 SMN1; SMN2 (0.59) KMT2ASMN1; SMN2MEN1LMNABCHE
SCHEMBL6235480 0.81 BCHE (0.53) KMT2ASMN1; SMN2MEN1LMNABCHE
SCHEMBL6230153 0.78 MEN1 (0.51) KMT2ASMN1; SMN2MEN1GAASLC2A1
SCHEMBL6232051 0.78 MEN1 (0.51) KMT2ASMN1; SMN2MEN1GAASLC2A1
SCHEMBL6236888 0.77 SMN1; SMN2 (0.55) KMT2ASMN1; SMN2MEN1LMNABCHE

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