SCHEMBL6235980

SCHEMBL6235980

COc1cc(CNCCc2ncc(C)s2)cc(OC)c1OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.59
KMT2A Q03164 3/20 0.59
ALDH1A1 P00352 3/20 0.59
MEN1 O00255 2/20 0.59
MAPK1 P28482 2/20 0.59
NPSR1 Q6W5P4 2/20 0.59
BCHE P06276 12/20 0.49
LMNA P02545 3/20 0.49
KDM4E B2RXH2 3/20 0.49
HTT P42858 3/20 0.49
NPY1R P25929 1/20 0.49
NPY2R P49146 1/20 0.49
NLRP3 Q96P20 1/20 0.47
MAPT P10636 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HTR1A P08908 1/20 0.45
HTR7 P34969 1/20 0.45
HTR6 P50406 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
SCHEMBL6239778 0.88 BCHE (0.65) SMN1; SMN2KMT2AALDH1A1MEN1NPSR1
SCHEMBL6233779 0.84 CD274 (0.49) SMN1; SMN2KMT2AALDH1A1MEN1MAPK1
SCHEMBL6230537 0.82 BCHE (0.52) SMN1; SMN2KMT2AMEN1BCHELMNA
SCHEMBL6233816 0.82 SLC2A1 (0.51) SMN1; SMN2KMT2AALDH1A1MEN1BCHE
SCHEMBL6230157 0.81 KMT2A (0.58) SMN1; SMN2KMT2AALDH1A1MEN1NPSR1
SCHEMBL6240567 0.81 BCHE (0.64) KMT2AMEN1MAPK1BCHE
SCHEMBL6233694 0.80 SMN1; SMN2 (0.53) SMN1; SMN2KMT2AALDH1A1MEN1MAPK1
SCHEMBL6235480 0.79 BCHE (0.53) SMN1; SMN2KMT2AALDH1A1MEN1BCHE
SCHEMBL6235977 0.77 KMT2A (0.57) SMN1; SMN2KMT2AALDH1A1MEN1MAPK1
SCHEMBL6235952 0.76 PDCD1 (0.51) SMN1; SMN2KMT2AALDH1A1MEN1BCHE

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